Molecule

ID:64365

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)5-2-3-6(8)4-5/h5H,2-4H2,1H3
InChIKey
KTGCFXSELRVRFH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCC(=O)C1
Isomeric Smiles
C(=O)(C1CC(=O)CC1)OC
Calculated Properties
JChem
Acid pKa
17.580235
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.41226417
LogD (pH = 7.4)
0.41226417
Log P
0.41226417
Molar Refractivity
34.6554
Polarizability
13.792176
Polar Surface Area
43.37
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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