Molecule

ID:70240

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₂
Molecular Mass
126.1531
Exact Mass
126.06807956
Charge
0
InChI
InChI=1S/C7H10O2/c8-6-3-1-2-4-7(9)5-6/h1-5H2
InChIKey
DBOVMTXPZWVYAQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCC(=O)C1
Isomeric Smiles
C1(=O)CC(=O)CCCC1
Calculated Properties
JChem
Acid pKa
8.196611
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2646077
LogD (pH = 7.4)
1.2011678
Log P
1.2654796
Molar Refractivity
33.5416
Polarizability
13.055906
Polar Surface Area
34.14
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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