Molecule

ID:104827

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈O₂
Molecular Mass
158.23802
Exact Mass
158.13067982
Charge
0
InChI
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
InChIKey
ZCZSIDMEHXZRLG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOC(=O)C
Isomeric Smiles
CCCCCCCOC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5801535
LogD (pH = 7.4)
2.5801535
Log P
2.5801535
Molar Refractivity
45.0894
Polarizability
18.069265
Polar Surface Area
26.3
Rotatable Bonds
7
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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