Molecule

ID:125135

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₂
Molecular Mass
86.08924
Exact Mass
86.03677943
Charge
0
InChI
InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2
InChIKey
DLDJFQGPPSQZKI-UHFFFAOYSA-N
Canonic Smiles
OCC#CCO
Isomeric Smiles
OCC#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
13.94
Polar Surface Area
40.46
Polarizability
8.89
Molar Refractivity
23.12
LOG S
0.37
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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