Molecule

ID:110985

General Information
Structure
MolImage
Molecular Formula
C₃H₅NO₂
Molecular Mass
87.0773
Exact Mass
87.03202841
Charge
0
InChI
InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
InChIKey
IZXIZTKNFFYFOF-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCO1
Isomeric Smiles
O=C1NCCO1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.36
LogD (pH = 5.5)
-0.36
Log P
-0.36
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
12.99
Polar Surface Area
38.33
Polarizability
7.63
Molar Refractivity
19.02
LOG S
0.23
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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