Molecule
ID:118551
General Information
Molecular Formula
C₅H₁₂O₄
Molecular Mass
136.14638
Exact Mass
136.07355886
Charge
0
InChI
InChI=1S/C5H12O4/c1-8-5(3-6,4-7)9-2/h6-7H,3-4H2,1-2H3
InChIKey
HYRZFKCRTXTLLZ-UHFFFAOYSA-N
Canonic Smiles
OCC(CO)(OC)OC
Isomeric Smiles
C(OC)(OC)(CO)CO
Calculated Properties
JChem
Acid pKa
13.217519
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.74244505
LogD (pH = 7.4)
-0.7424457
Log P
-0.74244505
Molar Refractivity
31.4858
Polarizability
12.683304
Polar Surface Area
58.92
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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