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

Formula:C22H16N2O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-amino-2-oxoethyl) (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	(2-amino-2-oxoethyl) (3E)-3-[(3,4-dichlorophenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C22H16N2O3Cl2
Smiles	NC(COC(c1c(CC/C2=C\c(cc3)cc(Cl)c3Cl)c2nc2ccccc12)=O)=O
InChI	InChI=1S/C22H16Cl2N2O3/c23-16-8-5-12(10-17(16)24)9-13-6-7-15-20(22(28)29-11-19(25)27)14-3-1-2-4-18(14)26-21(13)15/h1-5,8-10H,6-7,11H2,(H2,25,27)
InChIK	WQQHIQBVGIWIFC-UHFFFAOYSA-N
TotalMolweight	427.286
Molweight	427.286
MonoisotopicMass	426.053797
CLogP	4.1984
CLogS	-5.994
H Acceptors	5
H Donors	1
TotalSurfaceArea	303.73
Relative PSA	0.20518
PolarSurfaceArea	82.28
Druglikeness	0.9844
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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

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