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

Formula:C14H11N5OS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C14H11N5OS
Smiles	Oc1cccc(/C=N\N(C(c2cnccc2)=NN2)C2=S)c1
InChI	InChI=1S/C14H11N5OS/c20-12-5-1-3-10(7-12)8-16-19-13(17-18-14(19)21)11-4-2-6-15-9-11/h1-9,20H,(H,18,21)
InChIK	PYXUYZFPPMSOCL-UHFFFAOYSA-N
TotalMolweight	297.341
Molweight	297.341
MonoisotopicMass	297.06843
CLogP	1.9484
CLogS	-3.36
H Acceptors	6
H Donors	2
TotalSurfaceArea	226.83
Relative PSA	0.39721
PolarSurfaceArea	105.2
Druglikeness	3.5019
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.57143
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	2
Aromatic Nitrogens	1
StereoCon

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