(E)-3-(2-hydroxyanilino)-1-phenylprop-2-en-1-one

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

MolName(E)-3-(2-hydroxyanilino)-1-phenylprop-2-en-1-one
MolecularFormulaC15H13NO2
SmilesOc(cccc1)c1N/C=C/C(c1ccccc1)=O
InChIInChI=1S/C15H13NO2/c17-14(12-6-2-1-3-7-12)10-11-16-13-8-4-5-9-15(13)18/h1-11,16,18H
InChIKMIEPYMKDEDCLNA-UHFFFAOYSA-N
TotalMolweight239.273
Molweight239.273
MonoisotopicMass239.094629
CLogP2.1288
CLogS-3.49
H Acceptors3
H Donors2
TotalSurfaceArea195.08
Relative PSA0.19274
PolarSurfaceArea49.33
Druglikeness0.59604
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms18
NonCHAtoms3
Electronegative Atoms3
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms1
Symmetricatoms2
StereoCon

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