Molecule

ID:107171

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₂
Molecular Mass
130.18486
Exact Mass
130.09937969
Charge
0
InChI
InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
InChIKey
ICMAFTSLXCXHRK-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)OCC
Isomeric Smiles
CCCCC(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8690295
LogD (pH = 7.4)
1.8690295
Log P
1.8690295
Molar Refractivity
35.9903
Polarizability
14.389824
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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