
 SR-02000000364

 33 35  0  0  0  0  0  0  0  0999 V2000
   -2.0410   -1.0550   -0.1433 C   0  0  0  0  0
   -1.5270   -2.1853   -0.7676 C   0  0  0  0  0
   -0.1560   -2.2752   -1.0344 C   0  0  0  0  0
    0.7310   -1.2343   -0.6986 C   0  0  0  0  0
    0.1858   -0.1069   -0.0658 C   0  0  0  0  0
   -1.1848   -0.0183    0.2105 C   0  0  0  0  0
    2.1399   -1.3663   -0.9659 N   0  0  0  0  0
    3.0414   -0.2863   -0.9454 C   0  0  0  0  0
    2.7334    0.9025   -0.8780 O   0  0  0  0  0
    4.4995   -0.6431   -1.0383 C   0  0  0  0  0
    4.8450   -1.8921   -1.3462 C   0  0  0  0  0
    3.7774   -2.8786   -1.4823 C   0  0  0  0  0
    2.5216   -2.6558   -1.2929 N   0  0  0  0  0
    6.4589   -2.4300   -1.5655 Cl  0  0  0  0  0
    5.4703    0.3483   -0.9299 O   0  0  0  0  0
    5.5162    1.1521    0.1861 C   0  0  0  0  0
    4.9883    0.8187    1.4360 C   0  0  0  0  0
    5.1188    1.7098    2.5043 C   0  0  0  0  0
    5.7916    2.9135    2.3256 C   0  0  0  0  0
    6.3432    3.2452    1.0932 C   0  0  0  0  0
    6.2057    2.3583    0.0235 C   0  0  0  0  0
    5.8957    3.7491    3.3974 O   0  0  0  0  0
   -3.1037   -0.9832    0.0705 H   0  0  0  0  0
   -2.1874   -3.0012   -1.0493 H   0  0  0  0  0
    0.2063   -3.1737   -1.5280 H   0  0  0  0  0
    0.8069    0.7223    0.2600 H   0  0  0  0  0
   -1.5762    0.8651    0.7093 H   0  0  0  0  0
    4.0895   -3.9012   -1.7544 H   0  0  0  0  0
    4.4707   -0.1192    1.6074 H   0  0  0  0  0
    4.6960    1.4658    3.4749 H   0  0  0  0  0
    6.8770    4.1781    0.9443 H   0  0  0  0  0
    6.6333    2.6103   -0.9437 H   0  0  0  0  0
    6.3550    4.5575    3.1165 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 13  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
 18 19  2  0  0  0
 18 30  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 31  1  0  0  0
 21 32  1  0  0  0
 22 33  1  0  0  0
M  END

>  <Chemical Name>
SR-02000000364

>  <PubChem CID>
46172933

>  <Formula>
C16H11ClN2O3

>  <Molecular Weight>
314.725000

>  <IUPAC Name>
5-chloro-4-(4-hydroxyphenoxy)-2-phenylpyridazin-3-one

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)OC3=CC=C(C=C3)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)OC3=CC=C(C=C3)O

>  <InChI Std. ID>
InChI=1S/C16H11ClN2O3/c17-14-10-18-19(11-4-2-1-3-5-11)16(21)15(14)22-13-8-6-12(20)7-9-13/h1-10,20H

>  <InChI Key>
FAXJCHPLHYTAOD-UHFFFAOYSA-N

