Molecule

ID:22226

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₂
Molecular Mass
116.15828
Exact Mass
116.08372962
Charge
0
InChI
InChI=1S/C6H12O2/c1-7-6-4-2-3-5-8-6/h6H,2-5H2,1H3
InChIKey
XTDKZSUYCXHXJM-UHFFFAOYSA-N
Canonic Smiles
COC1CCCCO1
Isomeric Smiles
C1CCCC(O1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0251167
LogD (pH = 7.4)
1.0251167
Log P
1.0251167
Molar Refractivity
31.046
Polarizability
12.446784
Polar Surface Area
18.46
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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