Molecule

ID:12384

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉IN₂
Molecular Mass
284.09633
Exact Mass
283.9810463
Charge
0
InChI
InChI=1S/C10H9IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKey
PVEYRBGIYMWFPB-UHFFFAOYSA-N
Canonic Smiles
Ic1cnn(c1)Cc1ccccc1
Isomeric Smiles
c1(cnn(c1)Cc1ccccc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0544999
LogD (pH = 7.4)
3.0545232
Log P
3.0545235
Molar Refractivity
72.9365
Polarizability
23.590504
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
No Data Available
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Molecule Details
References
Bioactivity
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