Molecule

ID:85137

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₃
Molecular Mass
281.3059
Exact Mass
281.10519335
Charge
0
InChI
InChI=1S/C17H15NO3/c18-17(20)12-21-15-9-7-14(8-10-15)16(19)11-6-13-4-2-1-3-5-13/h1-11H,12H2,(H2,18,20)
InChIKey
GWTMMRLRNBKVFU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OCC(=O)N)/C=C/c1ccccc1
Isomeric Smiles
O=C(COc1ccc(cc1)C(=O)/C=C/c1ccccc1)N
Calculated Properties
JChem
Acid pKa
15.069483
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4036946
LogD (pH = 7.4)
2.4036946
Log P
2.4036946
Molar Refractivity
81.247
Polarizability
30.895388
Polar Surface Area
69.39
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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