Molecule

ID:34857

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₃
Molecular Mass
142.1525
Exact Mass
142.06299418
Charge
0
InChI
InChI=1S/C7H10O3/c1-5(8)7(2)3-4-10-6(7)9/h3-4H2,1-2H3
InChIKey
VKDGCPFTXXDWQJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1(C)CCOC1=O
Isomeric Smiles
C1(C(=O)OCC1)(C(=O)C)C
Calculated Properties
JChem
Acid pKa
18.366098
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.76987
LogD (pH = 7.4)
0.76987
Log P
0.76987
Molar Refractivity
34.6519
Polarizability
13.792176
Polar Surface Area
43.37
Rotatable Bonds
1
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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