4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoic acid

Formula:C18H13NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoic acid is a drug-like molecule.

MolName	4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoic acid
MolecularFormula	C18H13NO3
Smiles	OC(c1ccc(/C=C/C(Nc2c3cccc2)=CC3=O)cc1)=O
InChI	InChI=1S/C18H13NO3/c20-17-11-14(19-16-4-2-1-3-15(16)17)10-7-12-5-8-13(9-6-12)18(21)22/h1-11H,(H,19,20)(H,21,22)
InChIK	GMAZIMXJRBOIAG-UHFFFAOYSA-N
TotalMolweight	291.305
Molweight	291.305
MonoisotopicMass	291.089544
CLogP	2.786
CLogS	-4.509
H Acceptors	4
H Donors	2
TotalSurfaceArea	224.04
Relative PSA	0.22603
PolarSurfaceArea	66.4
Druglikeness	1.4334
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoic acid | 2 - 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoic acid

Request More Details | 4-[(E)-2-(4-oxo-1H-quinolin-2-yl)ethenyl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments