Molecule

ID:52623

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃NO₂
Molecular Mass
131.17292
Exact Mass
131.09462866
Charge
0
InChI
InChI=1S/C6H13NO2/c8-3-5-1-7-2-6(5)4-9/h5-9H,1-4H2/t5-,6+
InChIKey
ZRERAZQFEFFXSJ-OLQVQODUSA-N
Canonic Smiles
OC[C@@H]1CNC[C@@H]1CO
Isomeric Smiles
[C@H]1(CNC[C@@H]1CO)CO
Calculated Properties
JChem
Acid pKa
15.115854
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-5.082227
LogD (pH = 7.4)
-4.7235456
Log P
-1.8473791
Molar Refractivity
34.8374
Polarizability
13.835553
Polar Surface Area
52.49
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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