Molecule

ID:128331

General Information
Structure
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Molecular Formula
C₅H₁₀O₂
Molecular Mass
102.1317
Exact Mass
102.06807956
Charge
0
InChI
InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChIKey
UUIQMZJEGPQKFD-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)OC
Isomeric Smiles
CCCC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0676528
LogD (pH = 7.4)
1.0676528
Log P
1.0676528
Molar Refractivity
26.6407
Polarizability
10.71875
Polar Surface Area
26.3
Rotatable Bonds
3
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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