Molecule

ID:16303

General Information
Structure
MolImage
Molecular Formula
C₆H₆IN
Molecular Mass
219.02301
Exact Mass
218.9544972
Charge
0
InChI
InChI=1S/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey
FFCSRWGYGMRBGD-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)I
Isomeric Smiles
c1cc(cc(c1)N)I
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0675046
LogD (pH = 7.4)
2.0731914
Log P
2.0732644
Molar Refractivity
44.1209
Polarizability
16.62225
Polar Surface Area
26.02
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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