Molecule

ID:21863

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₂
Molecular Mass
255.31168
Exact Mass
255.12592879
Charge
0
InChI
InChI=1S/C16H17NO2/c1-12(13-6-4-3-5-7-13)17-16(18)14-8-10-15(19-2)11-9-14/h3-12H,1-2H3,(H,17,18)
InChIKey
OMHDGNALXUEDAQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)NC(c1ccccc1)C
Isomeric Smiles
C(=O)(NC(c1ccccc1)C)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
15.148236
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0309389
LogD (pH = 7.4)
3.030939
Log P
3.030939
Molar Refractivity
75.5277
Polarizability
28.954998
Polar Surface Area
38.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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