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

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

MolName	4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
MolecularFormula	C14H9N6O2ClS
Smiles	[O-][N+](c(cc(/C=N\N(C(c1cnccc1)=NN1)C1=S)cc1)c1Cl)=O
InChI	InChI=1S/C14H9ClN6O2S/c15-11-4-3-9(6-12(11)21(22)23)7-17-20-13(18-19-14(20)24)10-2-1-5-16-8-10/h1-8H,(H,19,24)
InChIK	VVPYYJQFVRBOMD-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
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments