Molecule

ID:43318

General Information
Structure
MolImage
Molecular Formula
C₃H₃IN₂
Molecular Mass
193.97379
Exact Mass
193.93409611
Charge
0
InChI
InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKey
RUKDVLFJSMVBLV-UHFFFAOYSA-N
Canonic Smiles
Ic1cc[nH]n1
Isomeric Smiles
n1c(cc[nH]1)I
Calculated Properties
JChem
Acid pKa
12.675514
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.281038
LogD (pH = 7.4)
1.2811134
Log P
1.2811166
Molar Refractivity
31.4068
Polarizability
12.61197
Polar Surface Area
28.68
Rotatable Bonds
0
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