Molecule

ID:128973

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₀O₂
Molecular Mass
312.5304
Exact Mass
312.30283052
Charge
0
InChI
InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/t17-,18-,19?/m1/s1
InChIKey
RLCKHJSFHOZMDR-PWCSWUJKSA-N
Canonic Smiles
C[C@@H](CCCC(CC(=O)O)C)CCC[C@@H](CCCC(C)C)C
Isomeric Smiles
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CC(=O)O
Calculated Properties
JChem
Acid pKa
5.0408325
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.8163633
LogD (pH = 7.4)
5.071989
Log P
7.4046593
Molar Refractivity
95.278
Polarizability
38.092808
Polar Surface Area
37.3
Rotatable Bonds
14
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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