Molecule

ID:110916

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O
Molecular Mass
114.18546
Exact Mass
114.10446507
Charge
0
InChI
InChI=1S/C7H14O/c8-6-5-7-3-1-2-4-7/h7-8H,1-6H2
InChIKey
JEXQWCBPEWHFKC-UHFFFAOYSA-N
Canonic Smiles
OCCC1CCCC1
Isomeric Smiles
OCCC1CCCC1
Calculated Properties
JChem
Acid pKa
17.086626
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5177524
LogD (pH = 7.4)
1.5177525
Log P
1.5177525
Molar Refractivity
34.0833
Polarizability
13.512976
Polar Surface Area
20.23
Rotatable Bonds
2
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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