Molecule

ID:135858

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
116.12311484
Exact Mass
116.06668337
Charge
0
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1/i5+1
InChIKey
ONIBWKKTOPOVIA-VNFUZYCESA-N
Canonic Smiles
O[13C](=O)[C@H]1CCCN1
Isomeric Smiles
C1C[C@@H](NC1)[13C](=O)O
Calculated Properties
JChem
Acid pKa
1.9406707
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.5687168
LogD (pH = 7.4)
-2.5686643
Log P
-2.5686383
Molar Refractivity
28.0643
Polarizability
11.294152
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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