Molecule

ID:107451

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀O₂
Molecular Mass
90.121
Exact Mass
90.06807956
Charge
0
InChI
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
InChIKey
OWBTYPJTUOEWEK-UHFFFAOYSA-N
Canonic Smiles
CC(C(O)C)O
Isomeric Smiles
CC(O)C(C)O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.38
LogD (pH = 5.5)
-0.38
Log P
-0.38
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.22
Polar Surface Area
40.46
Polarizability
9.83
Molar Refractivity
23.39
LOG S
0.36
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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