Molecule

ID:71299

General Information
Structure
Molecular Formula
C₆H₃IN₂
Molecular Mass
230.00589
Exact Mass
229.93409611
Charge
0
InChI
InChI=1S/C6H3IN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H
InChIKey
CJKHIIQONPNAIP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnccc1I
Isomeric Smiles
c1(C#N)c(I)ccnc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5406111
LogD (pH = 7.4)
1.540614
Log P
1.540614
Molar Refractivity
42.9852
Polarizability
16.534304
Polar Surface Area
36.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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