Molecule

ID:73631

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-8(2)7-10-9-5-3-4-6-11(9)13-12(10)14/h3-6,8,10H,7H2,1-2H3,(H,13,14)
InChIKey
UHNMEXRCASTLJV-UHFFFAOYSA-N
Canonic Smiles
CC(CC1C(=O)Nc2c1cccc2)C
Isomeric Smiles
N1C(=O)C(c2ccccc12)CC(C)C
Calculated Properties
JChem
Acid pKa
13.292497
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7911928
LogD (pH = 7.4)
2.7911923
Log P
2.791193
Molar Refractivity
57.91
Polarizability
21.845419
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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