Molecule

ID:58186

General Information
Structure
MolImage
Molecular Formula
C₅H₇IN₂
Molecular Mass
222.02695
Exact Mass
221.96539623
Charge
0
InChI
InChI=1S/C5H7IN2/c1-4-5(6)3-7-8(4)2/h3H,1-2H3
InChIKey
QXAYSWMALOLASK-UHFFFAOYSA-N
Canonic Smiles
Cc1c(I)cnn1C
Isomeric Smiles
n1(c(c(cn1)I)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5295216
LogD (pH = 7.4)
1.5296105
Log P
1.5296117
Molar Refractivity
53.4736
Polarizability
15.972596
Polar Surface Area
17.82
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
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References
Bioactivity
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