Molecule

ID:88175

General Information
Structure
MolImage
Molecular Formula
C₉H₆IN
Molecular Mass
255.05511
Exact Mass
254.9544972
Charge
0
InChI
InChI=1S/C9H6IN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H
InChIKey
LPUNAKZXZRFMCD-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)ccnc2
Isomeric Smiles
n1cc2ccc(cc2cc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5711014
LogD (pH = 7.4)
2.6724896
Log P
2.6739945
Molar Refractivity
53.7138
Polarizability
21.912424
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
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References
Bioactivity
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