2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetamide

Formula:C17H15NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetamide is a drug-like molecule.

MolName2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetamide
MolecularFormulaC17H15NO3
SmilesNC(COc1ccc(/C=C/C(c2ccccc2)=O)cc1)=O
InChIInChI=1S/C17H15NO3/c18-17(20)12-21-15-9-6-13(7-10-15)8-11-16(19)14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,20)
InChIKXZRDKESCIXRAJM-UHFFFAOYSA-N
TotalMolweight281.31
Molweight281.31
MonoisotopicMass281.105194
CLogP1.966
CLogS-3.709
H Acceptors4
H Donors1
TotalSurfaceArea227.3
Relative PSA0.22591
PolarSurfaceArea69.39
Druglikeness0.92047
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.71429
Fragments1
Non HAtoms21
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms4
Amides1
StereoCon

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