Molecule

ID:74480

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O
Molecular Mass
114.18546
Exact Mass
114.10446507
Charge
0
InChI
InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2
InChIKey
QCRFMSUKWRQZEM-UHFFFAOYSA-N
Canonic Smiles
OC1CCCCCC1
Isomeric Smiles
OC1CCCCCC1
Calculated Properties
JChem
Acid pKa
18.473331
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.725262
LogD (pH = 7.4)
1.7252622
Log P
1.7252622
Molar Refractivity
33.8765
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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