Molecule

ID:58187

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)3-8(2)7-4/h3H,1-2H3
InChIKey
LBTIQTFUCOVWKY-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(c(n1)C)I
Isomeric Smiles
n1(cc(c(n1)C)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4611309
LogD (pH = 7.4)
1.4614168
Log P
1.4614205
Molar Refractivity
52.9154
Polarizability
15.971135
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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