Molecule

ID:61838

General Information
Structure
MolImage
Molecular Formula
C₄H₃NO₃
Molecular Mass
113.07152
Exact Mass
113.01129296
Charge
0
InChI
InChI=1S/C4H3NO3/c6-4(7)3-1-2-8-5-3/h1-2H,(H,6,7)
InChIKey
UXYRXGFUANQKTA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccon1
Isomeric Smiles
o1nc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.912495
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.21243
LogD (pH = 7.4)
-2.8258667
Log P
0.38122445
Molar Refractivity
24.3842
Polarizability
8.878078
Polar Surface Area
63.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation