Molecule

ID:130958

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₈O₄
Molecular Mass
318.49192
Exact Mass
318.2770097
Charge
0
InChI
InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3
InChIKey
FKMHSNTVILORFA-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCOCCOCCOCCO
Isomeric Smiles
CCCCCCCCCCCCOCCOCCOCCO
Calculated Properties
JChem
Acid pKa
15.121156
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.220945
LogD (pH = 7.4)
4.220945
Log P
4.220945
Molar Refractivity
92.0734
Polarizability
36.57614
Polar Surface Area
47.92
Rotatable Bonds
19
Lipinski's Rule of Five
true
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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