Molecule

ID:43070

General Information
Structure
MolImage
Molecular Formula
C₇H₄N₂O₂
Molecular Mass
148.11886
Exact Mass
148.02727738
Charge
0
InChI
InChI=1S/C7H4N2O2/c8-4-5-1-2-9-6(3-5)7(10)11/h1-3H,(H,10,11)
InChIKey
CMKZSIGRFONKKC-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccnc(c1)C(=O)O
Isomeric Smiles
c1cnc(cc1C#N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5737565
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2680794
LogD (pH = 7.4)
-2.69778
Log P
0.6551028
Molar Refractivity
36.5069
Polarizability
13.661089
Polar Surface Area
73.98
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