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

Formula:C31H23N5OS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
MolecularFormula	C31H23N5OS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C31H23N5OS/c37-29(33-32-20-28-26-17-9-7-13-23(26)19-24-14-8-10-18-27(24)28)21-38-31-35-34-30(22-11-3-1-4-12-22)36(31)25-15-5-2-6-16-25/h1-20H,21H2,(H,33,37)
InChIK	IUWGQFLRIFALCC-UHFFFAOYSA-N
TotalMolweight	513.624
Molweight	513.624
MonoisotopicMass	513.16233
CLogP	6.9206
CLogS	-11.628
H Acceptors	6
H Donors	1
TotalSurfaceArea	393.68
Relative PSA	0.20908
PolarSurfaceArea	97.47
Druglikeness	5.4255
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.47368
Fragments	1
Non HAtoms	38
NonCHAtoms	7
Electronegative Atoms	7
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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