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

Formula:C15H16N5O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-cyclohexyl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-3-cyclohexyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C15H16N5O2ClS
Smiles	[O-][N+](c(cc1)cc(/C=N\N(C(C2CCCCC2)=NN2)C2=S)c1Cl)=O
InChI	InChI=1S/C15H16ClN5O2S/c16-13-7-6-12(21(22)23)8-11(13)9-17-20-14(18-19-15(20)24)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,24)
InChIK	NBBDKPIFSBNFRC-UHFFFAOYSA-N
TotalMolweight	365.844
Molweight	365.844
MonoisotopicMass	365.071322
CLogP	2.905
CLogS	-5.803
H Acceptors	7
H Donors	1
TotalSurfaceArea	268.85
Relative PSA	0.35875
PolarSurfaceArea	117.9
Druglikeness	-6.3579
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	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments