Molecule

ID:34792

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₃
Molecular Mass
131.12986
Exact Mass
131.05824315
Charge
0
InChI
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
InChIKey
PMMYEEVYMWASQN-UHFFFAOYSA-N
Canonic Smiles
OC1CNC(C1)C(=O)O
Isomeric Smiles
N1C(C(=O)O)CC(C1)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.72
LogD (pH = 5.5)
-3.72
Log P
-3.72
Rotatable Bonds
1
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.64
Polar Surface Area
69.56
Polarizability
12.45
Molar Refractivity
29.38
LOG S
0.27
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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