Molecule

ID:59423

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c1-4-7(8-5-2)9-6-3/h1,7H,5-6H2,2-3H3
InChIKey
RGUXEWWHSQGVRZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(C#C)OCC
Isomeric Smiles
C(#C)C(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.345151
LogD (pH = 7.4)
1.345151
Log P
1.345151
Molar Refractivity
35.871
Polarizability
13.913418
Polar Surface Area
18.46
Rotatable Bonds
4
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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