(E)-1-(furan-2-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one

Formula:C13H10O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(furan-2-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName(E)-1-(furan-2-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
MolecularFormulaC13H10O3
SmilesOc1c(/C=C/C(c2ccco2)=O)cccc1
InChIInChI=1S/C13H10O3/c14-11-5-2-1-4-10(11)7-8-12(15)13-6-3-9-16-13/h1-9,14H
InChIKCTPZVSOXBBLRFZ-UHFFFAOYSA-N
TotalMolweight214.219
Molweight214.219
MonoisotopicMass214.062995
CLogP2.1468
CLogS-3.226
H Acceptors3
H Donors1
TotalSurfaceArea173.31
Relative PSA0.23224
PolarSurfaceArea50.44
Druglikeness0.69054
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.625
Fragments1
Non HAtoms16
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms1
StereoCon

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