4-[(Z)-(2-bromophenyl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione

Formula:C15H10N4BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(2-bromophenyl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(2-bromophenyl)methylideneamino]-3-(3-chlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H10N4BrClS
Smiles	S=C(NN=C1c2cc(Cl)ccc2)N1/N=C\c(cccc1)c1Br
InChI	InChI=1S/C15H10BrClN4S/c16-13-7-2-1-4-11(13)9-18-21-14(19-20-15(21)22)10-5-3-6-12(17)8-10/h1-9H,(H,20,22)
InChIK	LPLZJUORCXXJKT-UHFFFAOYSA-N
TotalMolweight	393.695
Molweight	393.695
MonoisotopicMass	391.949804
CLogP	4.6262
CLogS	-6.021
H Acceptors	4
H Donors	1
TotalSurfaceArea	255.77
Relative PSA	0.25816
PolarSurfaceArea	72.08
Druglikeness	1.8245
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
StereoCon

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