Molecule

ID:111383

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O
Molecular Mass
114.18546
Exact Mass
114.10446507
Charge
0
InChI
InChI=1S/C7H14O/c1-5-3-6(2)7(8)4-5/h5-8H,3-4H2,1-2H3
InChIKey
UIEZBRDQSWACQJ-UHFFFAOYSA-N
Canonic Smiles
CC1CC(C(C1)C)O
Isomeric Smiles
CC1CC(C)C(O)C1
Calculated Properties
JChem
Acid pKa
18.668955
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4881166
LogD (pH = 7.4)
1.4881167
Log P
1.4881167
Molar Refractivity
33.6947
Polarizability
13.512976
Polar Surface Area
20.23
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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