Molecule

ID:128831

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)
InChIKey
URXZXNYJPAJJOQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCC/C=C/CCCCCCCCCCCC(=O)O
Isomeric Smiles
O=C(O)CCCCCCCCCCC/C=C/CCCCCC
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.0171304
LogD (pH = 7.4)
5.257995
Log P
7.672936
Molar Refractivity
96.6042
Polarizability
37.85601
Polar Surface Area
37.3
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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