Molecule

ID:106923

General Information
Structure
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Molecular Formula
C₇H₁₄O₂
Molecular Mass
130.18486
Exact Mass
130.09937969
Charge
0
InChI
InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3
InChIKey
FFOPEPMHKILNIT-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)OC(C)C
Isomeric Smiles
CCCC(=O)OC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8410358
LogD (pH = 7.4)
1.8410358
Log P
1.8410358
Molar Refractivity
35.8081
Polarizability
14.389824
Polar Surface Area
26.3
Rotatable Bonds
4
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
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Molecule Details
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References
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Bioactivity
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