Molecule

ID:67322

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c7-3-4-1-2-5(8)6-4/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1
InChIKey
HOBJEFOCIRXQKH-BYPYZUCNSA-N
Canonic Smiles
OC[C@@H]1CCC(=O)N1
Isomeric Smiles
N1C(=O)CC[C@H]1CO
Calculated Properties
JChem
Acid pKa
14.226303
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2099442
LogD (pH = 7.4)
-1.2099442
Log P
-1.2099442
Molar Refractivity
28.2204
Polarizability
11.098675
Polar Surface Area
49.33
Rotatable Bonds
1
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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