Molecule

ID:1842

General Information
Structure
MolImage
Molecular Formula
C₂H₅NO₃
Molecular Mass
91.066
Exact Mass
91.02694303
Charge
0
InChI
InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
InChIKey
NQRKYASMKDDGHT-UHFFFAOYSA-N
Canonic Smiles
NOCC(=O)O
Isomeric Smiles
NOCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.30
LogD (pH = 5.5)
-3.06
Log P
-2.22
Rotatable Bonds
2
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.16
Polar Surface Area
72.55
Polarizability
7.61
Molar Refractivity
18.42
LOG S
0.51
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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