Molecule

ID:112532

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O
Molecular Mass
112.16958
Exact Mass
112.088815
Charge
0
InChI
InChI=1S/C7H12O/c1-2-6-3-4-7(8)5-6/h6H,2-5H2,1H3
InChIKey
XERALSLWOPMNRJ-UHFFFAOYSA-N
Canonic Smiles
CCC1CCC(=O)C1
Isomeric Smiles
CCC1CCC(=O)C1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7752134
LogD (pH = 7.4)
1.7752134
Log P
1.7752134
Molar Refractivity
32.796
Polarizability
12.9650955
Polar Surface Area
17.07
Rotatable Bonds
1
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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