Molecule

ID:112204

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O₂
Molecular Mass
170.24872
Exact Mass
170.13067982
Charge
0
InChI
InChI=1S/C10H18O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3
InChIKey
HBJZBPQYTLKQBY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCCC1C
Isomeric Smiles
CCOC(=O)C1CCCCC1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6798775
LogD (pH = 7.4)
2.6798775
Log P
2.6798775
Molar Refractivity
47.9122
Polarizability
19.182886
Polar Surface Area
26.3
Rotatable Bonds
3
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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