Molecule

ID:58344

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO
Molecular Mass
237.2964
Exact Mass
237.11536411
Charge
0
InChI
InChI=1S/C16H15NO/c18-14-8-4-7-13(11-14)17-16-10-3-6-12-5-1-2-9-15(12)16/h1-3,5-6,9-11,17H,4,7-8H2
InChIKey
ROEDTQBQKAUASI-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC(=C1)Nc1cccc2c1cccc2
Isomeric Smiles
C1CCC(=CC1=O)Nc1cccc2c1cccc2
Calculated Properties
JChem
Acid pKa
16.881569
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0830336
LogD (pH = 7.4)
3.083042
Log P
3.0830421
Molar Refractivity
75.8277
Polarizability
29.20324
Polar Surface Area
29.1
Rotatable Bonds
2
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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