Molecule

ID:3825

General Information
Structure
MolImage
Molecular Formula
C₃H₅NO₂
Molecular Mass
87.0773
Exact Mass
87.03202841
Charge
0
InChI
InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)
InChIKey
DUAWRLXHCUAWMK-UHFFFAOYSA-N
Canonic Smiles
[O-]C(=O)C(=[NH2+])C
Isomeric Smiles
CC(=[NH2+])C(=O)[O-]
Calculated Properties
JChem
LogD (pH = 7.4)
-3.14
LogD (pH = 5.5)
-1.53
Log P
-0.43
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.10
Polar Surface Area
65.72
Polarizability
7.73
Molar Refractivity
42.10
LOG S
0.14
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation