Molecule

ID:42256

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₂
Molecular Mass
156.22214
Exact Mass
156.11502975
Charge
0
InChI
InChI=1S/C9H16O2/c1-6(10)8(7(2)11)9(3,4)5/h8H,1-5H3
InChIKey
YTSTYSFZVKPLAT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(C(C)(C)C)C(=O)C
Isomeric Smiles
C(C(C)(C)C)(C(=O)C)C(=O)C
Calculated Properties
JChem
Acid pKa
10.696963
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9027522
LogD (pH = 7.4)
1.9025376
Log P
1.9027549
Molar Refractivity
44.2892
Polarizability
17.45102
Polar Surface Area
34.14
Rotatable Bonds
3
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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