(E)-3-(2-hydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one

Formula:C14H11NO2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-hydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.

MolName(E)-3-(2-hydroxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
MolecularFormulaC14H11NO2
SmilesOc1c(/C=C/C(c2ncccc2)=O)cccc1
InChIInChI=1S/C14H11NO2/c16-13-7-2-1-5-11(13)8-9-14(17)12-6-3-4-10-15-12/h1-10,16H
InChIKJKTCHMQMVYEGAI-UHFFFAOYSA-N
TotalMolweight225.246
Molweight225.246
MonoisotopicMass225.078979
CLogP2.0112
CLogS-2.773
H Acceptors3
H Donors1
TotalSurfaceArea182.38
Relative PSA0.20348
PolarSurfaceArea50.19
Druglikeness0.30944
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64706
Fragments1
Non HAtoms17
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Aromatic Nitrogens1
StereoCon

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