N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Formula:C31H22N5OClS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C31H22N5OClS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C31H22ClN5OS/c32-24-14-16-25(17-15-24)37-30(21-8-2-1-3-9-21)35-36-31(37)39-20-29(38)34-33-19-28-26-12-6-4-10-22(26)18-23-11-5-7-13-27(23)28/h1-19H,20H2,(H,34,38)
InChIK	BQJKOEUUDGMVAN-UHFFFAOYSA-N
TotalMolweight	548.069
Molweight	548.069
MonoisotopicMass	547.123357
CLogP	7.5266
CLogS	-12.364
H Acceptors	6
H Donors	1
TotalSurfaceArea	409.1
Relative PSA	0.2012
PolarSurfaceArea	97.47
Druglikeness	5.4489
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.46154
Fragments	1
Non HAtoms	39
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	31
Sp3Atoms	2
Symmetricatoms	10
Aromatic Nitrogens	3
StereoCon

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