
 CHEMBL157064

 40 42  0  0  0  0  0  0  0  0999 V2000
    3.7139   -0.7950    3.0640 C   0  0  0  0  0
    2.9825    0.3296    2.5854 O   0  0  0  0  0
    3.2925    0.7487    1.3115 C   0  0  0  0  0
    4.5750    0.6262    0.7754 C   0  0  0  0  0
    4.8357    1.0795   -0.5130 C   0  0  0  0  0
    3.8206    1.6744   -1.2734 C   0  0  0  0  0
    2.5062    1.8240   -0.7545 C   0  0  0  0  0
    1.4224    2.3876   -1.4774 C   0  0  0  0  0
    0.1464    2.5104   -0.9238 C   0  0  0  0  0
   -0.0878    2.0720    0.3685 C   0  0  0  0  0
    0.9524    1.5033    1.1006 C   0  0  0  0  0
    2.2520    1.3593    0.5653 C   0  0  0  0  0
    4.1873    2.1709   -2.6216 C   0  0  0  0  0
    5.2016    1.6906   -3.2717 N   0  0  0  0  0
    5.4351    2.2631   -4.4824 N   0  0  0  0  0
    6.3624    1.8107   -5.4005 C   0  0  0  0  0
    6.3858    2.3041   -6.5296 O   0  0  0  0  0
    7.3195    0.7187   -5.0662 C   0  0  0  0  0
    7.8201    0.5059   -3.7781 C   0  0  0  0  0
    8.7289   -0.5284   -3.5415 C   0  0  0  0  0
    9.1683   -1.3352   -4.5962 C   0  0  0  0  0
    8.6989   -1.1137   -5.8890 C   0  0  0  0  0
    7.7781   -0.0881   -6.1208 C   0  0  0  0  0
   10.0683   -2.3379   -4.3633 O   0  0  0  0  0
    9.2947   -0.7719   -1.9277 Cl  0  0  0  0  0
    3.1850   -1.1888    3.9373 H   0  0  0  0  0
    4.7154   -0.4970    3.3887 H   0  0  0  0  0
    3.7631   -1.5939    2.3156 H   0  0  0  0  0
    5.3943    0.1994    1.3449 H   0  0  0  0  0
    5.8435    0.9817   -0.9114 H   0  0  0  0  0
    1.5442    2.7307   -2.5010 H   0  0  0  0  0
   -0.6622    2.9437   -1.5071 H   0  0  0  0  0
   -1.0772    2.1614    0.8091 H   0  0  0  0  0
    0.7390    1.1584    2.1116 H   0  0  0  0  0
    3.5680    2.9743   -3.0542 H   0  0  0  0  0
    4.8150    2.9888   -4.8274 H   0  0  0  0  0
    7.5216    1.1471   -2.9556 H   0  0  0  0  0
    9.0341   -1.7202   -6.7250 H   0  0  0  0  0
    7.4168    0.0858   -7.1338 H   0  0  0  0  0
   10.2926   -2.7722   -5.2022 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 38  1  0  0  0
 23 39  1  0  0  0
 24 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL157064

>  <PubChem CID>
10450820

>  <Formula>
C19H15ClN2O3

>  <Molecular Weight>
354.790000

>  <IUPAC Name>
3-chloro-4-hydroxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=C(C2=CC=CC=C21)C=NNC(=O)C3=CC(=C(C=C3)O)Cl

>  <Isomeric SMILES>
COC1=CC=C(C2=CC=CC=C21)/C=N/NC(=O)C3=CC(=C(C=C3)O)Cl

>  <InChI Std. ID>
InChI=1S/C19H15ClN2O3/c1-25-18-9-7-13(14-4-2-3-5-15(14)18)11-21-22-19(24)12-6-8-17(23)16(20)10-12/h2-11,23H,1H3,(H,22,24)/b21-11+

>  <InChI Key>
ACMRUPCRSYINDG-SRZZPIQSSA-N

