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

Formula:C14H9N4O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[3-(furan-2-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
MolecularFormula	C14H9N4O3S
Smiles	[O-]C(c1ccc(/C=N\N(C(c2ccco2)=NN2)C2=S)cc1)=O
InChI	InChI=1S/C14H10N4O3S/c19-13(20)10-5-3-9(4-6-10)8-15-18-12(16-17-14(18)22)11-2-1-7-21-11/h1-8H,(H,17,22)(H,19,20)/p-1
InChIK	SLBSDFMMESYBCJ-UHFFFAOYSA-M
TotalMolweight	313.316
Molweight	313.316
MonoisotopicMass	313.039536
CLogP	-0.1072
CLogS	-4.146
H Acceptors	7
H Donors	1
TotalSurfaceArea	236.69
Relative PSA	0.45401
PolarSurfaceArea	125.35
Druglikeness	3.703
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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