Molecule

ID:60410

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀O₂
Molecular Mass
126.1531
Exact Mass
126.06807956
Charge
0
InChI
InChI=1S/C7H10O2/c1-5(8)4-7(9)6-2-3-6/h6H,2-4H2,1H3
InChIKey
KLCGMDWRXACELA-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)CC(=O)C
Isomeric Smiles
C1(C(=O)CC(=O)C)CC1
Calculated Properties
JChem
Acid pKa
8.166438
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1069955
LogD (pH = 7.4)
1.0393391
Log P
1.10793
Molar Refractivity
33.4892
Polarizability
13.055906
Polar Surface Area
34.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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