4-[(Z)-anthracen-9-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Formula:C23H16N4S Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-anthracen-9-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-anthracen-9-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C23H16N4S
Smiles	S=C(NN=C1c2ccccc2)N1/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C23H16N4S/c28-23-26-25-22(16-8-2-1-3-9-16)27(23)24-15-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-15H,(H,26,28)
InChIK	LENQLZUSOKRLBK-UHFFFAOYSA-N
TotalMolweight	380.474
Molweight	380.474
MonoisotopicMass	380.109566
CLogP	5.6838
CLogS	-7.663
H Acceptors	4
H Donors	1
TotalSurfaceArea	290.92
Relative PSA	0.22697
PolarSurfaceArea	72.08
Druglikeness	3.5915
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	8
StereoCon

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