Molecule

ID:67959

General Information
Structure
MolImage
Molecular Formula
C₉H₆IN
Molecular Mass
255.05511
Exact Mass
254.9544972
Charge
0
InChI
InChI=1S/C9H6IN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
InChIKey
WKTASELJZCIVBR-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)cccn2
Isomeric Smiles
n1cccc2cc(ccc12)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.054812
LogD (pH = 7.4)
3.059781
Log P
3.059845
Molar Refractivity
53.3418
Polarizability
21.917595
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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