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

Formula:C16H10N4O2FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[3-(2-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[3-(2-fluorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
MolecularFormula	C16H10N4O2FS
Smiles	[O-]C(c1ccc(/C=N\N(C(c(cccc2)c2F)=NN2)C2=S)cc1)=O
InChI	InChI=1S/C16H11FN4O2S/c17-13-4-2-1-3-12(13)14-19-20-16(24)21(14)18-9-10-5-7-11(8-6-10)15(22)23/h1-9H,(H,20,24)(H,22,23)/p-1
InChIK	YJCLSGSVEMUCPZ-UHFFFAOYSA-M
TotalMolweight	341.345
Molweight	341.345
MonoisotopicMass	341.050849
CLogP	0.8049
CLogS	-4.778
H Acceptors	6
H Donors	1
TotalSurfaceArea	253.35
Relative PSA	0.36846
PolarSurfaceArea	112.21
Druglikeness	2.2816
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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