Molecule

ID:134399

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀NaO₂
Molecular Mass
325.44077
Exact Mass
325.21434948
Charge
0
InChI
InChI=1S/C20H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22);/b4-3-,7-6-,10-9-,13-12-,16-15-;
InChIKey
RFTXAZWJICNXMQ-RSDXMDNYSA-N
Canonic Smiles
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.[Na]
Isomeric Smiles
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.[Na]
Calculated Properties
JChem
Acid pKa
4.819772
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.4632735
LogD (pH = 7.4)
3.6901412
Log P
6.2252493
Molar Refractivity
101.0706
Polarizability
36.914207
Polar Surface Area
37.3
Rotatable Bonds
13
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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