Molecule

ID:22556

General Information
Structure
MolImage
Molecular Formula
C₆H₇IN₂
Molecular Mass
234.03765
Exact Mass
233.96539623
Charge
0
InChI
InChI=1S/C6H7IN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
InChIKey
HYQMOIDHGGDJMH-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)nc(n1)I
Isomeric Smiles
c1(nc(cc(n1)C)C)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3583301
LogD (pH = 7.4)
1.3583363
Log P
1.3583364
Molar Refractivity
44.6084
Polarizability
17.488556
Polar Surface Area
25.78
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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