Molecule
ID:108474
General Information
Molecular Formula
C₇H₇IN₂O
Molecular Mass
262.04775
Exact Mass
261.96031085
Charge
0
InChI
InChI=1S/C7H7IN2O/c1-9-7(11)5-4-10-3-2-6(5)8/h2-4H,1H3,(H,9,11)
InChIKey
WQXPBSBAXNLHHO-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1cnccc1I
Isomeric Smiles
CNC(=O)c1cnccc1I
Calculated Properties
JChem
Acid pKa
12.464483
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.75836056
LogD (pH = 7.4)
0.75882494
Log P
0.75883424
Molar Refractivity
51.2387
Polarizability
19.426092
Polar Surface Area
41.99
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...