Molecule

ID:75367

General Information
Structure
MolImage
Molecular Formula
C₉H₆IN
Molecular Mass
255.05511
Exact Mass
254.9544972
Charge
0
InChI
InChI=1S/C9H6IN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
InChIKey
STERKHRCDZPNRE-UHFFFAOYSA-N
Canonic Smiles
Ic1ccnc2c1cccc2
Isomeric Smiles
n1ccc(c2ccccc12)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.056477
LogD (pH = 7.4)
3.0598023
Log P
3.059845
Molar Refractivity
53.3418
Polarizability
21.922396
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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