Molecule

ID:108514

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₂
Molecular Mass
130.18486
Exact Mass
130.09937969
Charge
0
InChI
InChI=1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3
InChIKey
JAELLLITIZHOGQ-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OC(C)(C)C
Isomeric Smiles
CCC(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6770438
LogD (pH = 7.4)
1.6770438
Log P
1.6770438
Molar Refractivity
35.8453
Polarizability
14.389824
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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