4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]benzoic acid

Formula:C18H14O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]benzoic acid is a drug-like molecule.

MolName	4-[(1E,4E)-3-oxo-5-phenylpenta-1,4-dienyl]benzoic acid
MolecularFormula	C18H14O3
Smiles	OC(c1ccc(/C=C/C(/C=C/c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C18H14O3/c19-17(12-8-14-4-2-1-3-5-14)13-9-15-6-10-16(11-7-15)18(20)21/h1-13H,(H,20,21)
InChIK	OSYMIAJVYQDUSC-UHFFFAOYSA-N
TotalMolweight	278.306
Molweight	278.306
MonoisotopicMass	278.094295
CLogP	3.4097
CLogS	-3.999
H Acceptors	3
H Donors	1
TotalSurfaceArea	227.87
Relative PSA	0.17194
PolarSurfaceArea	54.37
Druglikeness	0.5554
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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