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

Formula:C22H15N5S Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-anthracen-9-ylmethylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-anthracen-9-ylmethylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C22H15N5S
Smiles	S=C(NN=C1c2cnccc2)N1/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C22H15N5S/c28-22-26-25-21(17-8-5-11-23-13-17)27(22)24-14-20-18-9-3-1-6-15(18)12-16-7-2-4-10-19(16)20/h1-14H,(H,26,28)
InChIK	NGXBISHLZKIFSW-UHFFFAOYSA-N
TotalMolweight	381.462
Molweight	381.462
MonoisotopicMass	381.104815
CLogP	4.6829
CLogS	-6.868
H Acceptors	5
H Donors	1
TotalSurfaceArea	289.68
Relative PSA	0.26581
PolarSurfaceArea	84.97
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	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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