Molecule
ID:67176
General Information
Molecular Formula
C₉H₆IN
Molecular Mass
255.05511
Exact Mass
254.9544972
Charge
0
InChI
InChI=1S/C9H6IN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
InChIKey
LRPCCFSUFGFVBO-UHFFFAOYSA-N
Canonic Smiles
Ic1cncc2c1cccc2
Isomeric Smiles
c1ncc(c2ccccc12)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.667911
LogD (pH = 7.4)
2.6739173
Log P
2.6739945
Molar Refractivity
53.7138
Polarizability
21.923452
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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