(E)-3-[7-(carboxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]prop-2-enoic acid

Formula:C14H13NO5 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-[7-(carboxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[7-(carboxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]prop-2-enoic acid
MolecularFormula	C14H13NO5
Smiles	OC(Cc1cc(NC(CC2)=O)c2cc1/C=C/C(O)=O)=O
InChI	InChI=1S/C14H13NO5/c16-12-3-1-9-5-8(2-4-13(17)18)10(7-14(19)20)6-11(9)15-12/h2,4-6H,1,3,7H2,(H,15,16)(H,17,18)(H,19,20)
InChIK	FKCUGSYQIYAPJJ-UHFFFAOYSA-N
TotalMolweight	275.259
Molweight	275.259
MonoisotopicMass	275.079374
CLogP	0.4084
CLogS	-2.638
H Acceptors	6
H Donors	3
TotalSurfaceArea	204.95
Relative PSA	0.37463
PolarSurfaceArea	103.7
Druglikeness	1.2001
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Amides	1
AcidicOxygens	2
StereoCon

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