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[1-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate

Formula:C29H20N4O4Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none [1-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.
MolName[1-[(Z)-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
MolecularFormulaC29H20N4O4Cl2S
SmilesN#Cc1c(NC(C(N/N=C\c(c2ccccc2cc2)c2OC(c(ccc(Cl)c2)c2Cl)=O)=O)=O)sc2c1CCCC2
InChIInChI=1S/C29H20Cl2N4O4S/c30-17-10-11-20(23(31)13-17)29(38)39-24-12-9-16-5-1-2-6-18(16)22(24)15-33-35-27(37)26(36)34-28-21(14-32)19-7-3-4-8-25(19)40-28/h1-2,5-6,9-13,15H,3-4,7-8H2,(H,34,36)(H,35,37)
InChIKKJBXNUBUYQRNGG-UHFFFAOYSA-N
TotalMolweight591.474
Molweight591.474
MonoisotopicMass590.05823
CLogP7.0294
CLogS-10.098
H Acceptors8
H Donors2
TotalSurfaceArea428.34
Relative PSA0.27424
PolarSurfaceArea148.89
Druglikeness-4.4322
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantlow
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index0.5
Fragments1
Non HAtoms40
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond7
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms5
Amides1
StereoCon

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