Molecule

ID:138771

General Information
Structure
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Molecular Formula
C₄H₈O₂
Molecular Mass
89.09777484
Exact Mass
89.05578433
Charge
0
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3/i4+1
InChIKey
XEKOWRVHYACXOJ-AZXPZELESA-N
Canonic Smiles
CCO[13C](=O)C
Isomeric Smiles
CCO[13C](=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.2793563
LogD (pH = 7.4)
0.2793563
Log P
0.2793563
Molar Refractivity
22.1614
Polarizability
8.888966
Polar Surface Area
26.3
Rotatable Bonds
2
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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