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

Formula:C31H21N5OCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C31H21N5OCl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C31H21Cl2N5OS/c32-23-11-9-20(10-12-23)30-36-37-31(38(30)25-15-13-24(33)14-16-25)40-19-29(39)35-34-18-28-26-7-3-1-5-21(26)17-22-6-2-4-8-27(22)28/h1-18H,19H2,(H,35,39)
InChIK	LDORRZCJPQHNBH-UHFFFAOYSA-N
TotalMolweight	582.514
Molweight	582.514
MonoisotopicMass	581.084384
CLogP	8.1326
CLogS	-13.1
H Acceptors	6
H Donors	1
TotalSurfaceArea	424.52
Relative PSA	0.19389
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	0.475
Fragments	1
Non HAtoms	40
NonCHAtoms	9
Electronegative Atoms	9
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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