Molecule

ID:8778

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O₃
Molecular Mass
174.23742
Exact Mass
174.12559444
Charge
0
InChI
InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12)
InChIKey
AFZMICRBFKZNIH-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCCCC(=O)O
Isomeric Smiles
OCCCCCCCCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.81
LogD (pH = 5.5)
0.96
Log P
1.71
Rotatable Bonds
8
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.83
Polar Surface Area
57.53
Polarizability
20.52
Molar Refractivity
46.81
LOG S
-1.35
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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