Molecule

ID:128992

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀O₂
Molecular Mass
278.4296
Exact Mass
278.2245802
Charge
0
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6+,10-9+,14-13+
InChIKey
HXQHFNIKBKZGRP-JRVLCRGASA-N
Canonic Smiles
CCCCC/C=C/C/C=C/CC/C=C/CCCC(=O)O
Isomeric Smiles
CCCCC/C=C/C/C=C/CC/C=C/CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.9223475
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.380885
LogD (pH = 7.4)
3.6177886
Log P
6.059955
Molar Refractivity
89.6354
Polarizability
33.692265
Polar Surface Area
37.3
Rotatable Bonds
13
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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