[2-(2-nitroanilino)-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C29H21N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2-(2-nitroanilino)-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	[2-(2-nitroanilino)-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C29H21N3O7
Smiles	[O-][N+](c(cccc1)c1NC(COC(c1c(CC/C2=C\c(cc3)cc4c3OCO4)c2nc2ccccc12)=O)=O)=O
InChI	InChI=1S/C29H21N3O7/c33-26(30-22-7-3-4-8-23(22)32(35)36)15-37-29(34)27-19-5-1-2-6-21(19)31-28-18(10-11-20(27)28)13-17-9-12-24-25(14-17)39-16-38-24/h1-9,12-14H,10-11,15-16H2,(H,30,33)
InChIK	IOXQXGFEBUUAMU-UHFFFAOYSA-N
TotalMolweight	523.5
Molweight	523.5
MonoisotopicMass	523.137952
CLogP	4.2364
CLogS	-7.116
H Acceptors	10
H Donors	1
TotalSurfaceArea	379.52
Relative PSA	0.28702
PolarSurfaceArea	132.57
Druglikeness	-3.1723
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48718
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	8
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - [2-(2-nitroanilino)-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-(2-nitroanilino)-2-oxoethyl] (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

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