Molecule

ID:27482

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c1-3-4-12(15)13-11-7-5-10(6-8-11)9(2)14/h5-8H,3-4H2,1-2H3,(H,13,15)
InChIKey
KJUCBOHGQYYIQU-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)Nc1ccc(cc1)C(=O)C
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)C)cc1)CCC
Calculated Properties
JChem
Acid pKa
13.651875
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9137082
LogD (pH = 7.4)
1.913708
Log P
1.9137082
Molar Refractivity
60.5517
Polarizability
22.622221
Polar Surface Area
46.17
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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