[(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] N-(2-chlorophenyl)carbamate

Formula:C19H17N4O6Cl Mutagenic:high Tumorigenic:low Reproductive Effective:none [(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] N-(2-chlorophenyl)carbamate is a drug-like molecule.

MolName	[(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] N-(2-chlorophenyl)carbamate
MolecularFormula	C19H17N4O6Cl
Smiles	[O-][N+](c1cc([N+]([O-])=O)c(C(CCCC2)/C2=N/OC(Nc(cccc2)c2Cl)=O)cc1)=O
InChI	InChI=1S/C19H17ClN4O6/c20-15-6-2-4-8-17(15)21-19(25)30-22-16-7-3-1-5-13(16)14-10-9-12(23(26)27)11-18(14)24(28)29/h2,4,6,8-11,13H,1,3,5,7H2,(H,21,25)/t13-/m1/s1
InChIK	BOZHKOACNZJEFC-CYBMUJFWSA-N
TotalMolweight	432.819
Molweight	432.819
MonoisotopicMass	432.083663
CLogP	4.1699
CLogS	-7.038
H Acceptors	10
H Donors	1
TotalSurfaceArea	312
Relative PSA	0.34247
PolarSurfaceArea	142.33
Druglikeness	-15.346
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Amides	1
AcidicOxygens	2
StereoCon	racemate

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