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

Formula:C15H12O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none phenyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate is a drug-like molecule.

MolName	phenyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
MolecularFormula	C15H12O4
Smiles	Oc(ccc(/C=C/C(Oc1ccccc1)=O)c1)c1O
InChI	InChI=1S/C15H12O4/c16-13-8-6-11(10-14(13)17)7-9-15(18)19-12-4-2-1-3-5-12/h1-10,16-17H
InChIK	LDBPIZIYTBIRPM-UHFFFAOYSA-N
TotalMolweight	256.256
Molweight	256.256
MonoisotopicMass	256.07356
CLogP	2.7279
CLogS	-2.864
H Acceptors	4
H Donors	2
TotalSurfaceArea	199.97
Relative PSA	0.24624
PolarSurfaceArea	66.76
Druglikeness	-3.2435
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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