Molecule

ID:135038

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₄O₂
Molecular Mass
282.46136
Exact Mass
282.25588033
Charge
0
InChI
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
InChIKey
ZQPPMHVWECSIRJ-MDZDMXLPSA-N
Canonic Smiles
CCCCCCCCC=CCCCCCCCC(=O)O
Isomeric Smiles
C(=CCCCCCCCC(=O)O)CCCCCCCC
Calculated Properties
JChem
Acid pKa
4.9881673
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
6.155865
LogD (pH = 7.4)
4.4022083
Log P
6.783798
Molar Refractivity
87.4022
Polarizability
34.16541
Polar Surface Area
37.3
Rotatable Bonds
15
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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