[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-cyclohexylacetate

Formula:C16H21N3O4 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-cyclohexylacetate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-cyclohexylacetate
MolecularFormula	C16H21N3O4
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(CC1CCCCC1)=O
InChI	InChI=1S/C16H21N3O4/c17-15(10-13-6-8-14(9-7-13)19(21)22)18-23-16(20)11-12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H2,17,18)
InChIK	VQHBALORONOWBA-UHFFFAOYSA-N
TotalMolweight	319.36
Molweight	319.36
MonoisotopicMass	319.153207
CLogP	2.5033
CLogS	-4.387
H Acceptors	7
H Donors	1
TotalSurfaceArea	251.49
Relative PSA	0.31906
PolarSurfaceArea	110.5
Druglikeness	-13.323
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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1 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-cyclohexylacetate | 2 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-cyclohexylacetate

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