benzyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Formula:C16H14O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none benzyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate is a drug-like molecule.

MolName	benzyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
MolecularFormula	C16H14O4
Smiles	Oc(ccc(/C=C/C(OCc1ccccc1)=O)c1)c1O
InChI	InChI=1S/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2
InChIK	WWVKQTNONPWVEL-UHFFFAOYSA-N
TotalMolweight	270.283
Molweight	270.283
MonoisotopicMass	270.08921
CLogP	2.6285
CLogS	-2.858
H Acceptors	4
H Donors	2
TotalSurfaceArea	213.73
Relative PSA	0.23038
PolarSurfaceArea	66.76
Druglikeness	-3.1261
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	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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