Molecule

ID:15127

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₃
Molecular Mass
141.12468
Exact Mass
141.04259309
Charge
0
InChI
InChI=1S/C6H7NO3/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)
InChIKey
JLSFKHJNJFXGAB-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(c(o1)C(=O)O)C
Isomeric Smiles
c1(nc(oc1C(=O)O)C)C
Calculated Properties
JChem
Acid pKa
2.8784087
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.82544
LogD (pH = 7.4)
-3.7402713
Log P
-0.25284386
Molar Refractivity
32.9333
Polarizability
12.328461
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