Molecule

ID:1957

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀O₂
Molecular Mass
90.121
Exact Mass
90.06807956
Charge
0
InChI
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
InChIKey
PUPZLCDOIYMWBV-BYPYZUCNSA-N
Canonic Smiles
OCC[C@@H](O)C
Isomeric Smiles
C[C@H](O)CCO
Calculated Properties
JChem
LogD (pH = 7.4)
-0.73
LogD (pH = 5.5)
-0.73
Log P
-0.73
Rotatable Bonds
2
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
15.41
Polar Surface Area
40.46
Polarizability
10.01
Molar Refractivity
23.84
LOG S
0.67
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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