Molecule

ID:45246

General Information
Structure
MolImage
Molecular Formula
C₅H₅IN₂
Molecular Mass
220.01107
Exact Mass
219.94974617
Charge
0
InChI
InChI=1S/C5H5IN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
InChIKey
UUDNBWSHTUFGDQ-UHFFFAOYSA-N
Canonic Smiles
Ic1cccnc1N
Isomeric Smiles
c1cnc(c(c1)I)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2592072
LogD (pH = 7.4)
1.4469873
Log P
1.4500494
Molar Refractivity
42.2775
Polarizability
15.846013
Polar Surface Area
38.91
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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