Molecule

ID:89092

General Information
Structure
Molecular Formula
C₆H₁₀O₃
Molecular Mass
130.1418
Exact Mass
130.06299418
Charge
0
InChI
InChI=1S/C6H10O3/c1-2-8-6(7)3-5-4-9-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKey
WHUSTVAXKRFVPD-RXMQYKEDSA-N
Canonic Smiles
CCOC(=O)C[C@@H]1CO1
Isomeric Smiles
O=C(C[C@@H]1CO1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.23048961
LogD (pH = 7.4)
0.23048961
Log P
0.23048961
Molar Refractivity
31.0154
Polarizability
12.574146
Polar Surface Area
38.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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