[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] 2-chlorobenzoate

Formula:C19H16N3O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none [(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] 2-chlorobenzoate is a drug-like molecule.

MolName	[(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] 2-chlorobenzoate
MolecularFormula	C19H16N3O6Cl
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(C(CCCC2)/C2=N\OC(c(cccc2)c2Cl)=O)cc1)=O
InChI	InChI=1S/C19H16ClN3O6/c20-16-7-3-1-6-15(16)19(24)29-21-17-8-4-2-5-13(17)14-10-9-12(22(25)26)11-18(14)23(27)28/h1,3,6-7,9-11,13H,2,4-5,8H2/t13-/m1/s1
InChIK	PVZXZWOVCNXXJV-CYBMUJFWSA-N
TotalMolweight	417.804
Molweight	417.804
MonoisotopicMass	417.072764
CLogP	4.176
CLogS	-6.522
H Acceptors	9
TotalSurfaceArea	300.54
Relative PSA	0.3174
PolarSurfaceArea	130.3
Druglikeness	-12.308
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
AcidicOxygens	2
StereoCon	racemate

Click to Load Molecule:

1 - [(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] 2-chlorobenzoate | 2 - [(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] 2-chlorobenzoate

Request More Details | [(Z)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] 2-chlorobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments