2-[(E)-2-[4-(carboxymethoxy)phenyl]ethenyl]quinoline-4-carboxylic acid

Formula:C20H15NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-[4-(carboxymethoxy)phenyl]ethenyl]quinoline-4-carboxylic acid is a drug-like molecule.

MolName	2-[(E)-2-[4-(carboxymethoxy)phenyl]ethenyl]quinoline-4-carboxylic acid
MolecularFormula	C20H15NO5
Smiles	OC(COc1ccc(/C=C/c2nc3ccccc3c(C(O)=O)c2)cc1)=O
InChI	InChI=1S/C20H15NO5/c22-19(23)12-26-15-9-6-13(7-10-15)5-8-14-11-17(20(24)25)16-3-1-2-4-18(16)21-14/h1-11H,12H2,(H,22,23)(H,24,25)
InChIK	KXOVDARGYSENGS-UHFFFAOYSA-N
TotalMolweight	349.341
Molweight	349.341
MonoisotopicMass	349.095024
CLogP	2.7817
CLogS	-4.288
H Acceptors	6
H Donors	2
TotalSurfaceArea	264.84
Relative PSA	0.27658
PolarSurfaceArea	96.72
Druglikeness	-0.62614
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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