Molecule

ID:135748

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀O₂
Molecular Mass
90.121
Exact Mass
90.06807956
Charge
0
InChI
InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKey
WERYXYBDKMZEQL-UHFFFAOYSA-N
Canonic Smiles
OCCCCO
Isomeric Smiles
C(CCO)CO
Calculated Properties
JChem
Acid pKa
15.669728
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.63135666
LogD (pH = 7.4)
-0.63135666
Log P
-0.63135666
Molar Refractivity
24.0636
Polarizability
9.497826
Polar Surface Area
40.46
Rotatable Bonds
3
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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