Molecule

ID:16282

General Information
Structure
MolImage
Molecular Formula
C₆H₇IN₂
Molecular Mass
234.03765
Exact Mass
233.96539623
Charge
0
InChI
InChI=1S/C6H7IN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)
InChIKey
HYRZCIXFHXERJT-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(c(c1)C)I
Isomeric Smiles
Nc1cc(c(cn1)I)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3723001
LogD (pH = 7.4)
1.9462768
Log P
1.9634708
Molar Refractivity
47.3187
Polarizability
17.563532
Polar Surface Area
38.91
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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