Molecule

ID:135119

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO₂
Molecular Mass
90.08583484
Exact Mass
90.05103331
Charge
0
InChI
InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/i1+1
InChIKey
FSYKKLYZXJSNPZ-OUBTZVSYSA-N
Canonic Smiles
[13CH3]NCC(=O)O
Isomeric Smiles
[13CH3]NCC(=O)O
Calculated Properties
JChem
Acid pKa
2.0566752
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.1863375
LogD (pH = 7.4)
-3.1866522
Log P
-3.186261
Molar Refractivity
20.778
Polarizability
8.358352
Polar Surface Area
49.33
Rotatable Bonds
2
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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