Molecule

ID:88290

General Information
Structure
MolImage
Molecular Formula
C₈H₆IN
Molecular Mass
243.04441
Exact Mass
242.9544972
Charge
0
InChI
InChI=1S/C8H6IN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3
InChIKey
YGXPQBKQVKASBM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1)I)C
Isomeric Smiles
N#Cc1ccc(c(c1)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2717078
LogD (pH = 7.4)
3.2717078
Log P
3.2717078
Molar Refractivity
50.1833
Polarizability
19.051855
Polar Surface Area
23.79
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
References
Bioactivity
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