Molecule

ID:90924

General Information
Structure
MolImage
Molecular Formula
C₈H₆INO
Molecular Mass
259.04381
Exact Mass
258.94941182
Charge
0
InChI
InChI=1S/C8H6INO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChIKey
DYNJBBWJVQMTNQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)I)OC
Isomeric Smiles
O(c1c(cc(cc1)C#N)I)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6006153
LogD (pH = 7.4)
2.6006153
Log P
2.6006153
Molar Refractivity
51.6053
Polarizability
19.890694
Polar Surface Area
33.02
Rotatable Bonds
1
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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