Molecule

ID:68724

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₃
Molecular Mass
142.1525
Exact Mass
142.06299418
Charge
0
InChI
InChI=1S/C7H10O3/c1-10-7(9)4-6(8)5-2-3-5/h5H,2-4H2,1H3
InChIKey
RIJWDPRXCXJDPK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C1CC1
Isomeric Smiles
C(=O)(CC(=O)C1CC1)OC
Calculated Properties
JChem
Acid pKa
10.038903
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.924186
LogD (pH = 7.4)
0.92320335
Log P
0.9241985
Molar Refractivity
34.7072
Polarizability
13.792176
Polar Surface Area
43.37
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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