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

Formula:C15H8N5O2Cl3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H8N5O2Cl3S
Smiles	[O-][N+](c(cc(/C=N\N(C(c(ccc(Cl)c1)c1Cl)=NN1)C1=S)cc1)c1Cl)=O
InChI	InChI=1S/C15H8Cl3N5O2S/c16-9-2-3-10(12(18)6-9)14-20-21-15(26)22(14)19-7-8-1-4-11(17)13(5-8)23(24)25/h1-7H,(H,21,26)
InChIK	JVTAKUPDKMJHAC-UHFFFAOYSA-N
TotalMolweight	428.687
Molweight	428.687
MonoisotopicMass	426.946426
CLogP	4.1914
CLogS	-7.119
H Acceptors	7
H Donors	1
TotalSurfaceArea	291.65
Relative PSA	0.3307
PolarSurfaceArea	117.9
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	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments