4-[(Z)-(3-nitrophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione

Formula:C10H6N5O2F3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(3-nitrophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(3-nitrophenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C10H6N5O2F3S
Smiles	[O-][N+](c1cccc(/C=N\N(C(C(F)(F)F)=NN2)C2=S)c1)=O
InChI	InChI=1S/C10H6F3N5O2S/c11-10(12,13)8-15-16-9(21)17(8)14-5-6-2-1-3-7(4-6)18(19)20/h1-5H,(H,16,21)
InChIK	MJTMKXSFTRVSNR-UHFFFAOYSA-N
TotalMolweight	317.251
Molweight	317.251
MonoisotopicMass	317.019429
CLogP	1.4392
CLogS	-4.481
H Acceptors	7
H Donors	1
TotalSurfaceArea	215.09
Relative PSA	0.44842
PolarSurfaceArea	117.9
Druglikeness	-13.33
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	11
Electronegative Atoms	11
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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