Molecule

ID:64558

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂
Molecular Mass
102.1317
Exact Mass
102.06807956
Charge
0
InChI
InChI=1S/C5H10O2/c6-3-5(4-7)1-2-5/h6-7H,1-4H2
InChIKey
YAINYZJQSQEGND-UHFFFAOYSA-N
Canonic Smiles
OCC1(CO)CC1
Isomeric Smiles
C1CC1(CO)CO
Calculated Properties
JChem
Acid pKa
14.739174
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.6407701
LogD (pH = 7.4)
-0.64077014
Log P
-0.6407701
Molar Refractivity
26.3761
Polarizability
10.47515
Polar Surface Area
40.46
Rotatable Bonds
2
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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