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

Formula:C23H14N4Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[(Z)-anthracen-9-ylmethylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-anthracen-9-ylmethylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C23H14N4Cl2S
Smiles	S=C(NN=C1c(ccc(Cl)c2)c2Cl)N1/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C23H14Cl2N4S/c24-16-9-10-19(21(25)12-16)22-27-28-23(30)29(22)26-13-20-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)20/h1-13H,(H,28,30)
InChIK	NTOXDXURZCUULB-UHFFFAOYSA-N
TotalMolweight	449.364
Molweight	449.364
MonoisotopicMass	448.03162
CLogP	6.8958
CLogS	-9.135
H Acceptors	4
H Donors	1
TotalSurfaceArea	321.76
Relative PSA	0.20522
PolarSurfaceArea	72.08
Druglikeness	3.6145
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	6
StereoCon

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