4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzoic acid

Formula:C16H11O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzoic acid is a drug-like molecule.

MolName	4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzoic acid
MolecularFormula	C16H11O3Cl
Smiles	OC(c1ccc(/C=C/C(c(cc2)ccc2Cl)=O)cc1)=O
InChI	InChI=1S/C16H11ClO3/c17-14-8-6-12(7-9-14)15(18)10-3-11-1-4-13(5-2-11)16(19)20/h1-10H,(H,19,20)
InChIK	LOYDPLGHYGKNBM-UHFFFAOYSA-N
TotalMolweight	286.713
Molweight	286.713
MonoisotopicMass	286.039672
CLogP	3.3949
CLogS	-4.589
H Acceptors	3
H Donors	1
TotalSurfaceArea	216.79
Relative PSA	0.18073
PolarSurfaceArea	54.37
Druglikeness	0.13349
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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