Molecule

ID:85307

General Information
Structure
Molecular Formula
C₇H₇IN₂
Molecular Mass
246.04835
Exact Mass
245.96539623
Charge
0
InChI
InChI=1S/C7H7N2.HI/c1-9-5-3-2-4-7(9)6-8;/h2-5H,1H3;1H/q+1;/p-1
InChIKey
RFCMSPLXJNQENM-UHFFFAOYSA-M
Canonic Smiles
N#Cc1cccc[n+]1C.[I-]
Isomeric Smiles
[n+]1(c(cccc1)C#N)C.[I-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-3.4116976
LogD (pH = 7.4)
-3.4116976
Log P
-3.4116976
Molar Refractivity
35.6556
Polarizability
13.279476
Polar Surface Area
27.67
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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