Molecule

ID:112610

General Information
Structure
MolImage
Molecular Formula
C₂₉H₄₂
Molecular Mass
390.64378
Exact Mass
390.32865134
Charge
0
InChI
InChI=1S/C29H42/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-26-21-16-18-23-28(26)29-24-19-17-22-27(25)29/h16-19,21-25H,2-15,20H2,1H3
InChIKey
MIHYKOZJQMWHCQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCC1c2ccccc2c2c1cccc2
Isomeric Smiles
CCCCCCCCCCCCCCCCC1c2ccccc2c2c1cccc2
Calculated Properties
JChem
Acid pKa
18.289026
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
10.694569
LogD (pH = 7.4)
10.694569
Log P
10.694569
Molar Refractivity
128.437
Polarizability
52.048126
Polar Surface Area
0.0
Rotatable Bonds
15
Lipinski's Rule of Five
false
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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