Molecule

ID:109574

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₃
Molecular Mass
142.1525
Exact Mass
142.06299418
Charge
0
InChI
InChI=1S/C7H10O3/c1-7(2)4-3-5(8)10-6(7)9/h3-4H2,1-2H3
InChIKey
PAVNZLVXYJDFNR-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)CCC1(C)C
Isomeric Smiles
CC1(C)CCC(=O)OC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2792583
LogD (pH = 7.4)
1.2792583
Log P
1.2792583
Molar Refractivity
34.0081
Polarizability
13.792176
Polar Surface Area
43.37
Rotatable Bonds
0
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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