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

Formula:C14H9N6O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C14H9N6O2ClS
Smiles	[O-][N+](c(cc1)cc(/C=N\N(C(c2ccncc2)=NN2)C2=S)c1Cl)=O
InChI	InChI=1S/C14H9ClN6O2S/c15-12-2-1-11(21(22)23)7-10(12)8-17-20-13(18-19-14(20)24)9-3-5-16-6-4-9/h1-8H,(H,19,24)
InChIK	BXBCXXVNSZKXCV-UHFFFAOYSA-N
TotalMolweight	360.784
Molweight	360.784
MonoisotopicMass	360.019621
CLogP	1.9785
CLogS	-4.852
H Acceptors	8
H Donors	1
TotalSurfaceArea	259.57
Relative PSA	0.41384
PolarSurfaceArea	130.79
Druglikeness	-1.5955
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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