4-[(Z)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

Formula:C15H10N5O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate
MolecularFormula	C15H10N5O2S
Smiles	[O-]C(c1ccc(/C=N\N(C(c2cnccc2)=NN2)C2=S)cc1)=O
InChI	InChI=1S/C15H11N5O2S/c21-14(22)11-5-3-10(4-6-11)8-17-20-13(18-19-15(20)23)12-2-1-7-16-9-12/h1-9H,(H,19,23)(H,21,22)/p-1
InChIK	AEGQVJRCMGBZGG-UHFFFAOYSA-M
TotalMolweight	324.343
Molweight	324.343
MonoisotopicMass	324.05552
CLogP	-0.2968
CLogS	-3.669
H Acceptors	7
H Donors	1
TotalSurfaceArea	245.76
Relative PSA	0.42448
PolarSurfaceArea	125.1
Druglikeness	3.6216
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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