Molecule

ID:52751

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO
Molecular Mass
237.2964
Exact Mass
237.11536411
Charge
0
InChI
InChI=1S/C16H15NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKey
AVUDXLOVIBJFQA-UHFFFAOYSA-N
Canonic Smiles
O=C1CN(C1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
C1(=O)CN(C1)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
18.819056
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2074068
LogD (pH = 7.4)
3.2078154
Log P
3.2078207
Molar Refractivity
71.9601
Polarizability
28.192324
Polar Surface Area
20.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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