
 CHEMBL332092

 42 44  0  0  0  0  0  0  0  0999 V2000
    0.7840   -4.4293    0.7758 C   0  0  0  0  0
    1.6277   -3.5224   -0.1277 C   0  0  0  0  0
    1.4286   -2.0423    0.1504 C   0  0  0  0  0
    2.2767   -1.3884    0.9644 C   0  0  0  0  0
    3.3975   -2.1300    1.5329 C   0  0  0  0  0
    3.7096   -3.3912    1.0149 C   0  0  0  0  0
    3.0007   -3.9595   -0.0089 O   0  0  0  0  0
    4.8053   -4.1069    1.4906 C   0  0  0  0  0
    5.5786   -3.5769    2.5213 C   0  0  0  0  0
    5.2658   -2.3268    3.0609 C   0  0  0  0  0
    4.2009   -1.5835    2.5388 C   0  0  0  0  0
    6.1180   -1.8716    4.0403 O   0  0  0  0  0
    5.6293   -1.1176    5.0819 C   0  0  0  0  0
    4.3724   -1.2941    5.6658 C   0  0  0  0  0
    3.9819   -0.4862    6.7358 C   0  0  0  0  0
    4.8588    0.4703    7.2477 C   0  0  0  0  0
    6.1298    0.6173    6.6944 C   0  0  0  0  0
    6.5146   -0.1779    5.6147 C   0  0  0  0  0
    0.3313   -1.3066   -0.5795 C   0  0  0  0  0
   -0.8811   -2.1028   -0.6797 N   0  0  0  0  0
   -1.4061   -2.5455   -1.8667 C   0  0  0  0  0
   -0.8764   -2.4436   -2.9655 O   0  0  0  0  0
   -2.6237   -3.1511   -1.7368 N   0  0  0  0  0
   -1.7301   -2.0011    0.4461 O   0  0  0  0  0
    1.0430   -5.4806    0.6066 H   0  0  0  0  0
   -0.2878   -4.3150    0.6018 H   0  0  0  0  0
    0.9779   -4.2275    1.8359 H   0  0  0  0  0
    1.3646   -3.7241   -1.1723 H   0  0  0  0  0
    2.1854   -0.3297    1.1798 H   0  0  0  0  0
    5.0504   -5.0746    1.0626 H   0  0  0  0  0
    6.4305   -4.1352    2.9004 H   0  0  0  0  0
    3.9982   -0.5838    2.9119 H   0  0  0  0  0
    3.6880   -2.0554    5.3020 H   0  0  0  0  0
    2.9957   -0.6098    7.1767 H   0  0  0  0  0
    4.5559    1.0929    8.0855 H   0  0  0  0  0
    6.8226    1.3476    7.1047 H   0  0  0  0  0
    7.5081   -0.0672    5.1877 H   0  0  0  0  0
    0.6866   -1.0654   -1.5867 H   0  0  0  0  0
    0.0749   -0.3650   -0.0784 H   0  0  0  0  0
   -2.7104   -3.7406   -0.9178 H   0  0  0  0  0
   -2.9313   -3.5880   -2.5980 H   0  0  0  0  0
   -2.5910   -1.8027    0.0273 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  2  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 24  1  0  0  0
 20 21  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 40  1  0  0  0
 23 41  1  0  0  0
 24 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL332092

>  <PubChem CID>
14971309

>  <Formula>
C18H18N2O4

>  <Molecular Weight>
326.352000

>  <IUPAC Name>
1-hydroxy-1-[(2-methyl-6-phenoxy-2H-chromen-3-yl)methyl]urea

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1C(=CC2=C(O1)C=CC(=C2)OC3=CC=CC=C3)CN(C(=O)N)O

>  <Isomeric SMILES>
CC1C(=CC2=C(O1)C=CC(=C2)OC3=CC=CC=C3)CN(C(=O)N)O

>  <InChI Std. ID>
InChI=1S/C18H18N2O4/c1-12-14(11-20(22)18(19)21)9-13-10-16(7-8-17(13)23-12)24-15-5-3-2-4-6-15/h2-10,12,22H,11H2,1H3,(H2,19,21)

>  <InChI Key>
FIGIZBVLAXGLJQ-UHFFFAOYSA-N

