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

Formula:C23H15N4BrS Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-anthracen-9-ylmethylideneamino]-3-(2-bromophenyl)-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-anthracen-9-ylmethylideneamino]-3-(2-bromophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C23H15N4BrS
Smiles	S=C(NN=C1c(cccc2)c2Br)N1/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C23H15BrN4S/c24-21-12-6-5-11-19(21)22-26-27-23(29)28(22)25-14-20-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)20/h1-14H,(H,27,29)
InChIK	VMCKHYVFDOQFPV-UHFFFAOYSA-N
TotalMolweight	459.37
Molweight	459.37
MonoisotopicMass	458.020077
CLogP	6.409
CLogS	-8.497
H Acceptors	4
H Donors	1
TotalSurfaceArea	309.55
Relative PSA	0.21331
PolarSurfaceArea	72.08
Druglikeness	1.8015
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	6
StereoCon

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