4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoic acid

Formula:C16H12O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoic acid is a drug-like molecule.

MolName	4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoic acid
MolecularFormula	C16H12O4
Smiles	OC(c(cc1)cc(C(/C=C/c2ccccc2)=O)c1O)=O
InChI	InChI=1S/C16H12O4/c17-14(8-6-11-4-2-1-3-5-11)13-10-12(16(19)20)7-9-15(13)18/h1-10,18H,(H,19,20)
InChIK	GIUGEYJJYYXIFU-UHFFFAOYSA-N
TotalMolweight	268.267
Molweight	268.267
MonoisotopicMass	268.07356
CLogP	2.4432
CLogS	-3.557
H Acceptors	4
H Donors	2
TotalSurfaceArea	207.72
Relative PSA	0.25168
PolarSurfaceArea	74.6
Druglikeness	0.034691
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
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	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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