Molecule

ID:136068

General Information
Structure
MolImage
Molecular Formula
C₂H₅NO₂
Molecular Mass
76.05925484
Exact Mass
76.03538324
Charge
0
InChI
InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3/i2+1
InChIKey
MCSAJNNLRCFZED-VQEHIDDOSA-N
Canonic Smiles
[O-][N+](=O)[13CH2]C
Isomeric Smiles
C[13CH2][N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
8.700482
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.37606928
LogD (pH = 7.4)
0.35515213
Log P
0.3763426
Molar Refractivity
17.3362
Polarizability
6.4288325
Polar Surface Area
45.82
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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