Molecule

ID:91034

General Information
Structure
Molecular Formula
C₂₁H₃₄O₂
Molecular Mass
318.49346
Exact Mass
318.25588033
Charge
0
InChI
InChI=1S/C21H34O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23)
InChIKey
BKXIGVQZLPZYLM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCCCCCc1ccccc1
Isomeric Smiles
OC(=O)CCCCCCCCCCCCCCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.7345815
LogD (pH = 7.4)
4.975446
Log P
7.3903866
Molar Refractivity
97.1786
Polarizability
38.41142
Polar Surface Area
37.3
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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