(E)-1-(2-aminophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one

Formula:C15H13NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(2-aminophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName(E)-1-(2-aminophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
MolecularFormulaC15H13NO2
SmilesNc(cccc1)c1C(/C=C/c(cccc1)c1O)=O
InChIInChI=1S/C15H13NO2/c16-13-7-3-2-6-12(13)15(18)10-9-11-5-1-4-8-14(11)17/h1-10,17H,16H2
InChIKIUQMJWRUXHOYJG-UHFFFAOYSA-N
TotalMolweight239.273
Molweight239.273
MonoisotopicMass239.094629
CLogP2.2808
CLogS-3.62
H Acceptors3
H Donors2
TotalSurfaceArea192.14
Relative PSA0.21552
PolarSurfaceArea63.32
Druglikeness0.3
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
Sp3Atoms1
Amines1
Aromatic Amines1
StereoCon

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