(E)-3-(2-oxo-1H-quinolin-7-yl)prop-2-enoic acid

Formula:C12H9NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-oxo-1H-quinolin-7-yl)prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-(2-oxo-1H-quinolin-7-yl)prop-2-enoic acid
MolecularFormula	C12H9NO3
Smiles	OC(/C=C/c(cc1)cc(N2)c1C=CC2=O)=O
InChI	InChI=1S/C12H9NO3/c14-11-5-4-9-3-1-8(2-6-12(15)16)7-10(9)13-11/h1-7H,(H,13,14)(H,15,16)
InChIK	KWMQQVWMXTZYFE-UHFFFAOYSA-N
TotalMolweight	215.207
Molweight	215.207
MonoisotopicMass	215.058244
CLogP	0.7614
CLogS	-2.795
H Acceptors	4
H Donors	2
TotalSurfaceArea	166.07
Relative PSA	0.30493
PolarSurfaceArea	66.4
Druglikeness	0.3585
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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