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

Formula:C15H9N5O2ClFS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H9N5O2ClFS
Smiles	[O-][N+](c(cc1)cc(/C=N\N(C(c(cc2)ccc2F)=NN2)C2=S)c1Cl)=O
InChI	InChI=1S/C15H9ClFN5O2S/c16-13-6-5-12(22(23)24)7-10(13)8-18-21-14(19-20-15(21)25)9-1-3-11(17)4-2-9/h1-8H,(H,20,25)
InChIK	NSIAPQDSOAGHSY-UHFFFAOYSA-N
TotalMolweight	377.786
Molweight	377.786
MonoisotopicMass	377.01495
CLogP	3.0802
CLogS	-5.961
H Acceptors	7
H Donors	1
TotalSurfaceArea	267.16
Relative PSA	0.36102
PolarSurfaceArea	117.9
Druglikeness	-2.9355
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
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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