Molecule

ID:92829

General Information
Structure
Molecular Formula
C₁₀H₉IN₂
Molecular Mass
284.09633
Exact Mass
283.9810463
Charge
0
InChI
InChI=1S/C10H9IN2/c11-10-4-1-3-9(7-10)8-13-6-2-5-12-13/h1-7H,8H2
InChIKey
GWLQKUUXEMKUEW-UHFFFAOYSA-N
Canonic Smiles
Ic1cccc(c1)Cn1cccn1
Isomeric Smiles
n1(nccc1)Cc1cccc(c1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0544002
LogD (pH = 7.4)
3.0545218
Log P
3.0545235
Molar Refractivity
72.9365
Polarizability
23.57708
Polar Surface Area
17.82
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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