Molecule

ID:104966

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₈O₂
Molecular Mass
310.51452
Exact Mass
310.28718046
Charge
0
InChI
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-
InChIKey
URXZXNYJPAJJOQ-FPLPWBNLSA-N
Canonic Smiles
CCCCCC/C=C\CCCCCCCCCCCC(=O)O
Isomeric Smiles
O=C(O)CCCCCCCCCCC/C=C\CCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
5.26
LogD (pH = 5.5)
7.02
Log P
7.67
Rotatable Bonds
17
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
4.95
Polar Surface Area
37.30
Polarizability
41.35
Molar Refractivity
96.60
LOG S
-8.42
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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