Molecule

ID:106220

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂O₂
Molecular Mass
104.14758
Exact Mass
104.08372962
Charge
0
InChI
InChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
InChIKey
ALQSHHUCVQOPAS-UHFFFAOYSA-N
Canonic Smiles
OCCCCCO
Isomeric Smiles
OCCCCCO
Calculated Properties
JChem
Acid pKa
16.843893
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.18678802
LogD (pH = 7.4)
-0.18678801
Log P
-0.18678801
Molar Refractivity
28.6646
Polarizability
11.190113
Polar Surface Area
40.46
Rotatable Bonds
4
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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