
 cid_237490

 36 38  0  0  0  0  0  0  0  0999 V2000
    7.4701    3.4618   -0.4798 C   0  0  0  0  0
    6.7260    2.9256    0.5679 C   0  0  0  0  0
    5.6893    2.0299    0.3003 C   0  0  0  0  0
    5.3823    1.6694   -1.0202 C   0  0  0  0  0
    6.1441    2.2068   -2.0660 C   0  0  0  0  0
    7.1815    3.1014   -1.7952 C   0  0  0  0  0
    4.2723    0.6878   -1.2945 C   0  0  0  0  0
    4.7803   -0.7293   -1.2898 C   0  0  0  0  0
    4.8257   -1.4116   -0.1877 N   0  0  0  0  0
    5.3326   -2.7290   -0.2925 C   0  0  0  0  0
    6.7215   -2.9329   -0.2389 C   0  0  0  0  0
    7.3027   -4.2140   -0.3336 C   0  0  0  0  0
    8.6984   -4.4128   -0.3106 C   0  0  0  0  0
    9.2496   -5.6915   -0.3951 C   0  0  0  0  0
    8.4158   -6.7973   -0.4993 C   0  0  0  0  0
    7.0315   -6.6228   -0.5251 C   0  0  0  0  0
    6.4510   -5.3384   -0.4479 C   0  0  0  0  0
    5.0548   -5.1355   -0.4718 C   0  0  0  0  0
    4.5008   -3.8482   -0.3992 C   0  0  0  0  0
    2.7769   -3.6686   -0.4508 Cl  0  0  0  0  0
    4.2324   -6.2367   -0.5692 O   0  0  0  0  0
    7.5358   -1.8318   -0.0759 O   0  0  0  0  0
    8.2761    4.1600   -0.2714 H   0  0  0  0  0
    6.9510    3.2035    1.5940 H   0  0  0  0  0
    5.1189    1.6146    1.1295 H   0  0  0  0  0
    5.9348    1.9380   -3.0990 H   0  0  0  0  0
    7.7659    3.5192   -2.6110 H   0  0  0  0  0
    3.8130    0.8886   -2.2683 H   0  0  0  0  0
    3.4853    0.7924   -0.5390 H   0  0  0  0  0
    5.1588   -1.1271   -2.2493 H   0  0  0  0  0
    9.3667   -3.5573   -0.2265 H   0  0  0  0  0
   10.3284   -5.8195   -0.3759 H   0  0  0  0  0
    8.8379   -7.7967   -0.5598 H   0  0  0  0  0
    6.3951   -7.5028   -0.6053 H   0  0  0  0  0
    3.3113   -5.9184   -0.5280 H   0  0  0  0  0
    6.9363   -1.0919    0.1513 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
 10 19  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 21  1  0  0  0
 19 20  1  0  0  0
 21 35  1  0  0  0
 22 36  1  0  0  0
M  END

>  <Chemical Name>
cid_237490

>  <PubChem CID>
91898303

>  <Formula>
C18H14ClNO2

>  <Molecular Weight>
311.765000

>  <IUPAC Name>
2-chloro-3-(2-phenylethylideneamino)naphthalene-1,4-diol

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CC=NC2=C(C3=CC=CC=C3C(=C2Cl)O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)CC=NC2=C(C3=CC=CC=C3C(=C2Cl)O)O

>  <InChI Std. ID>
InChI=1S/C18H14ClNO2/c19-15-16(20-11-10-12-6-2-1-3-7-12)18(22)14-9-5-4-8-13(14)17(15)21/h1-9,11,21-22H,10H2

>  <InChI Key>
CXPKKSMRVXUFNA-UHFFFAOYSA-N

