(2-oxocyclohexyl) (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C26H22NO3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-oxocyclohexyl) (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	(2-oxocyclohexyl) (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C26H22NO3Cl
Smiles	O=C(c1c(CC/C2=C\c(cc3)ccc3Cl)c2nc2ccccc12)OC(CCCC1)C1=O
InChI	InChI=1S/C26H22ClNO3/c27-18-12-9-16(10-13-18)15-17-11-14-20-24(19-5-1-2-6-21(19)28-25(17)20)26(30)31-23-8-4-3-7-22(23)29/h1-2,5-6,9-10,12-13,15,23H,3-4,7-8,11,14H2/t23-/m0/s1
InChIK	CLADUDXZDRDGAB-QHCPKHFHSA-N
TotalMolweight	431.918
Molweight	431.918
MonoisotopicMass	431.128821
CLogP	5.7075
CLogS	-6.633
H Acceptors	4
TotalSurfaceArea	320.07
Relative PSA	0.147
PolarSurfaceArea	56.26
Druglikeness	-7.0557
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon	racemate

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