Molecule

ID:78406

General Information
Structure
MolImage
Molecular Formula
C₉H₉IN₂
Molecular Mass
272.08563
Exact Mass
271.9810463
Charge
0
InChI
InChI=1S/C9H9IN2/c1-6-3-4-7-8(5-6)12(2)11-9(7)10/h3-5H,1-2H3
InChIKey
PPFSZQGRATXJGW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)n(C)nc2I
Isomeric Smiles
n1(nc(c2ccc(cc12)C)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8949366
LogD (pH = 7.4)
2.8949373
Log P
2.8949373
Molar Refractivity
69.4009
Polarizability
23.284222
Polar Surface Area
17.82
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