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

Formula:C22H17N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-amino-2-oxoethyl) (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	(2-amino-2-oxoethyl) (3E)-3-[(4-chlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C22H17N2O3Cl
Smiles	NC(COC(c1c(CC/C2=C\c(cc3)ccc3Cl)c2nc2ccccc12)=O)=O
InChI	InChI=1S/C22H17ClN2O3/c23-15-8-5-13(6-9-15)11-14-7-10-17-20(22(27)28-12-19(24)26)16-3-1-2-4-18(16)25-21(14)17/h1-6,8-9,11H,7,10,12H2,(H2,24,26)
InChIK	OWVZBSHAAKLDKX-UHFFFAOYSA-N
TotalMolweight	392.841
Molweight	392.841
MonoisotopicMass	392.09277
CLogP	3.5924
CLogS	-5.258
H Acceptors	5
H Donors	1
TotalSurfaceArea	288.31
Relative PSA	0.21616
PolarSurfaceArea	82.28
Druglikeness	0.9844
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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