Molecule

ID:24956

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO
Molecular Mass
237.2964
Exact Mass
237.11536411
Charge
0
InChI
InChI=1S/C16H15NO/c1-3-17-15-7-5-4-6-13(15)14-10-12(11(2)18)8-9-16(14)17/h4-10H,3H2,1-2H3
InChIKey
AAMBQMDRFSEKOF-UHFFFAOYSA-N
Canonic Smiles
CCn1c2ccc(cc2c2c1cccc2)C(=O)C
Isomeric Smiles
n1(c2c(c3c1cccc3)cc(C(=O)C)cc2)CC
Calculated Properties
JChem
Acid pKa
16.017715
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2290173
LogD (pH = 7.4)
3.2290173
Log P
3.2290173
Molar Refractivity
73.5203
Polarizability
30.540789
Polar Surface Area
22.0
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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