Molecule

ID:6938

General Information
Structure
MolImage
Molecular Formula
C₅H₅IN₂
Molecular Mass
220.01107
Exact Mass
219.94974617
Charge
0
InChI
InChI=1S/C5H5IN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
InChIKey
IVILGUFRMDBUEQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cn1)I
Isomeric Smiles
n1c(N)ccc(c1)I
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.310183
LogD (pH = 7.4)
1.4479507
Log P
1.4500494
Molar Refractivity
42.2775
Polarizability
15.839308
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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