Molecule

ID:63244

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c1-6-2-4(3-6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
InChIKey
OQTWISXQJKXTEM-UHFFFAOYSA-N
Canonic Smiles
CN1CC(C1)C(=O)O
Isomeric Smiles
C1N(C)CC1C(=O)O
Calculated Properties
JChem
Acid pKa
3.1443245
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0396187
LogD (pH = 7.4)
-3.0532763
Log P
-3.0389614
Molar Refractivity
28.86
Polarizability
11.294152
Polar Surface Area
40.54
Rotatable Bonds
1
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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