Molecule
ID:64547
General Information
Molecular Formula
C₉H₆IN
Molecular Mass
255.05511
Exact Mass
254.9544972
Charge
0
InChI
InChI=1S/C9H6IN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKey
OBEGSKDGFBFMFJ-UHFFFAOYSA-N
Canonic Smiles
Ic1cccc2c1nccc2
Isomeric Smiles
c12ncccc2cccc1I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0574737
LogD (pH = 7.4)
3.059815
Log P
3.059845
Molar Refractivity
53.3418
Polarizability
21.929136
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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