Molecule

ID:69947

General Information
Structure
Molecular Formula
C₃H₇NO₂
Molecular Mass
89.09318
Exact Mass
89.04767847
Charge
0
InChI
InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKey
FSYKKLYZXJSNPZ-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)O
Isomeric Smiles
C(=O)(CNC)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.19
LogD (pH = 5.5)
-3.19
Log P
-3.19
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
2.06
Polar Surface Area
49.33
Polarizability
8.65
Molar Refractivity
20.78
LOG S
0.80
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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