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

Formula:C14H10N5BrS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(4-bromophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(4-bromophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C14H10N5BrS
Smiles	S=C(NN=C1c2ncccc2)N1/N=C\c(cc1)ccc1Br
InChI	InChI=1S/C14H10BrN5S/c15-11-6-4-10(5-7-11)9-17-20-13(18-19-14(20)21)12-3-1-2-8-16-12/h1-9H,(H,19,21)
InChIK	CYJNJENOHISKDR-UHFFFAOYSA-N
TotalMolweight	360.238
Molweight	360.238
MonoisotopicMass	358.984026
CLogP	3.0733
CLogS	-4.514
H Acceptors	5
H Donors	1
TotalSurfaceArea	239.11
Relative PSA	0.32203
PolarSurfaceArea	84.97
Druglikeness	1.8015
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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