(3Z)-3-[[2-(carboxymethoxy)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

Formula:C22H17NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-3-[[2-(carboxymethoxy)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid is a drug-like molecule.

MolName	(3Z)-3-[[2-(carboxymethoxy)phenyl]methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid
MolecularFormula	C22H17NO5
Smiles	OC(COc1c(/C=C2\c3nc4ccccc4c(C(O)=O)c3CC2)cccc1)=O
InChI	InChI=1S/C22H17NO5/c24-19(25)12-28-18-8-4-1-5-13(18)11-14-9-10-16-20(22(26)27)15-6-2-3-7-17(15)23-21(14)16/h1-8,11H,9-10,12H2,(H,24,25)(H,26,27)
InChIK	KMYUIROGSMBLNN-UHFFFAOYSA-N
TotalMolweight	375.379
Molweight	375.379
MonoisotopicMass	375.110674
CLogP	2.8863
CLogS	-4.336
H Acceptors	6
H Donors	2
TotalSurfaceArea	277.07
Relative PSA	0.26437
PolarSurfaceArea	96.72
Druglikeness	-0.8273
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
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	6
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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