Molecule

ID:90582

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁IN₂
Molecular Mass
274.10151
Exact Mass
273.99669636
Charge
0
InChI
InChI=1S/C9H11N2.HI/c1-10-7-11(2)9-6-4-3-5-8(9)10;/h3-7H,1-2H3;1H/q+1;/p-1
InChIKey
RQGURHMTNSNBQX-UHFFFAOYSA-M
Canonic Smiles
C[n+]1cn(c2c1cccc2)C.[I-]
Isomeric Smiles
[n+]1(cn(c2c1cccc2)C)C.[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.4215975
LogD (pH = 7.4)
-2.4215975
Log P
-2.4215975
Molar Refractivity
45.0579
Polarizability
18.497423
Polar Surface Area
8.81
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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