(E)-1-(2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one

Formula:C15H12O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName(E)-1-(2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one
MolecularFormulaC15H12O3
SmilesOc(cc1)cc(C(/C=C/c2ccccc2)=O)c1O
InChIInChI=1S/C15H12O3/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,16,18H
InChIKPZVRZRARFZZBCA-UHFFFAOYSA-N
TotalMolweight240.257
Molweight240.257
MonoisotopicMass240.078645
CLogP2.6124
CLogS-3.248
H Acceptors3
H Donors2
TotalSurfaceArea189.97
Relative PSA0.20656
PolarSurfaceArea57.53
Druglikeness0.13358
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.61111
Fragments1
Non HAtoms18
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms2
StereoCon

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