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

Formula:C11H6N4O2F3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[(Z)-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate is a drug-like molecule.

MolName	2-[(Z)-[5-sulfanylidene-3-(trifluoromethyl)-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
MolecularFormula	C11H6N4O2F3S
Smiles	[O-]C(c1c(/C=N\N(C(C(F)(F)F)=NN2)C2=S)cccc1)=O
InChI	InChI=1S/C11H7F3N4O2S/c12-11(13,14)9-16-17-10(21)18(9)15-5-6-3-1-2-4-7(6)8(19)20/h1-5H,(H,17,21)(H,19,20)/p-1
InChIK	MIYIRGYGJVVREI-UHFFFAOYSA-M
TotalMolweight	315.255
Molweight	315.255
MonoisotopicMass	315.016355
CLogP	-0.2301
CLogS	-4.034
H Acceptors	6
H Donors	1
TotalSurfaceArea	216.7
Relative PSA	0.43078
PolarSurfaceArea	112.21
Druglikeness	-8.0684
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.47619
Fragments	1
Non HAtoms	21
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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