4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

Formula:C16H13N5S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C16H13N5S
Smiles	S=C(NN=C1c2cnccc2)N1/N=C\C=C\c1ccccc1
InChI	InChI=1S/C16H13N5S/c22-16-20-19-15(14-9-5-10-17-12-14)21(16)18-11-4-8-13-6-2-1-3-7-13/h1-12H,(H,20,22)
InChIK	RARNRBLSPYYIFW-UHFFFAOYSA-N
TotalMolweight	307.38
Molweight	307.38
MonoisotopicMass	307.089165
CLogP	2.3124
CLogS	-3.948
H Acceptors	5
H Donors	1
TotalSurfaceArea	246.98
Relative PSA	0.31177
PolarSurfaceArea	84.97
Druglikeness	3.6275
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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