Molecule

ID:78200

General Information
Structure
MolImage
Molecular Formula
C₅H₇IN₂
Molecular Mass
222.02695
Exact Mass
221.96539623
Charge
0
InChI
InChI=1S/C5H7N2.HI/c6-7-4-2-1-3-5-7;/h1-5H,6H2;1H/q+1;/p-1
InChIKey
NDRLPYIMWROJBG-UHFFFAOYSA-M
Canonic Smiles
N[n+]1ccccc1.[I-]
Isomeric Smiles
[n+]1(ccccc1)N.[I-]
Calculated Properties
JChem
Acid pKa
17.154568
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.2142067
LogD (pH = 7.4)
-2.2142067
Log P
-2.3262067
Molar Refractivity
31.0546
Polarizability
10.816217
Polar Surface Area
29.9
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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