Molecule

ID:58295

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c1-5(2)7(9)4-6(3)8/h5H,4H2,1-3H3
InChIKey
KHZGUWAFFHXZLC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CC(=O)C(C)C
Isomeric Smiles
C(=O)(CC(=O)C)C(C)C
Calculated Properties
JChem
Acid pKa
8.330861
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5710157
LogD (pH = 7.4)
1.5235362
Log P
1.5716559
Molar Refractivity
35.2914
Polarizability
13.774667
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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