Molecule

ID:90256

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀O₃
Molecular Mass
106.1204
Exact Mass
106.06299418
Charge
0
InChI
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKey
MTHSVFCYNBDYFN-UHFFFAOYSA-N
Canonic Smiles
OCCOCCO
Isomeric Smiles
OCCOCCO
Calculated Properties
JChem
LogD (pH = 7.4)
-1.26
LogD (pH = 5.5)
-1.26
Log P
-1.26
Rotatable Bonds
4
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
14.82
Polar Surface Area
49.69
Polarizability
11.23
Molar Refractivity
25.60
LOG S
0.98
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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