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1-(4-chlorophenyl)-N-[(6Z,12Z)-2-[(4-chlorophenyl)methylideneamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]methanimine

Formula:C40H26N4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-chlorophenyl)-N-[(6Z,12Z)-2-[(4-chlorophenyl)methylideneamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]methanimine is not a drug-like molecule.
MolName1-(4-chlorophenyl)-N-[(6Z,12Z)-2-[(4-chlorophenyl)methylideneamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]methanimine
MolecularFormulaC40H26N4Cl2
SmilesClc1ccc(/C=N/C2=C/C3=C(\c4ccccc4)/N=C(/C=CC(/N=C/c(cc4)ccc4Cl)=C4)\C4=C(\c4ccccc4)/N=C3/C=C2)cc1
InChIInChI=1S/C40H26Cl2N4/c41-31-15-11-27(12-16-31)25-43-33-19-21-37-35(23-33)39(29-7-3-1-4-8-29)45-38-22-20-34(44-26-28-13-17-32(42)18-14-28)24-36(38)40(46-37)30-9-5-2-6-10-30/h1-26H
InChIKUMOOTOHTVAOFST-UHFFFAOYSA-N
TotalMolweight633.58
Molweight633.58
MonoisotopicMass632.15345
CLogP8.9968
CLogS-9.806
H Acceptors4
TotalSurfaceArea486.6
Relative PSA0.094616
PolarSurfaceArea49.44
Druglikeness1.5699
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms46
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures7
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Symmetricatoms27
BasicNitrogens4
StereoCon

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