[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

Formula:C22H18N4O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C22H18N4O6
Smiles	[O-][N+](c(cc1)ccc1C(NNC(COC(c1c(CCC2)c2nc2ccccc12)=O)=O)=O)=O
InChI	InChI=1S/C22H18N4O6/c27-19(24-25-21(28)13-8-10-14(11-9-13)26(30)31)12-32-22(29)20-15-4-1-2-6-17(15)23-18-7-3-5-16(18)20/h1-2,4,6,8-11H,3,5,7,12H2,(H,24,27)(H,25,28)
InChIK	CKORIMRYOLVQGO-UHFFFAOYSA-N
TotalMolweight	434.407
Molweight	434.407
MonoisotopicMass	434.122636
CLogP	1.4387
CLogS	-5.225
H Acceptors	10
H Donors	2
TotalSurfaceArea	317.76
Relative PSA	0.35697
PolarSurfaceArea	143.21
Druglikeness	-5.2289
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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