Molecule

ID:104221

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₃
Molecular Mass
146.18426
Exact Mass
146.09429431
Charge
0
InChI
InChI=1S/C7H14O3/c1-5(2)4-10-7(9)6(3)8/h5-6,8H,4H2,1-3H3
InChIKey
WBPAQKQBUKYCJS-UHFFFAOYSA-N
Canonic Smiles
CC(COC(=O)C(O)C)C
Isomeric Smiles
CC(C)COC(=O)C(C)O
Calculated Properties
JChem
Acid pKa
12.999354
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9183677
LogD (pH = 7.4)
0.9183666
Log P
0.91836774
Molar Refractivity
37.3531
Polarizability
15.040717
Polar Surface Area
46.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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