Molecule

ID:91040

General Information
Structure
Molecular Formula
C₂₅H₄₂O₂
Molecular Mass
374.59978
Exact Mass
374.31848058
Charge
0
InChI
InChI=1S/C25H42O2/c26-25(27)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h15,17-18,21-22H,1-14,16,19-20,23H2,(H,26,27)
InChIKey
CZXWTZXPCXQSPH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCCCCCCCCCc1ccccc1
Isomeric Smiles
OC(=O)CCCCCCCCCCCCCCCCCCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
8.512856
LogD (pH = 7.4)
6.7537208
Log P
9.168661
Molar Refractivity
115.5826
Polarizability
45.794777
Polar Surface Area
37.3
Rotatable Bonds
19
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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