Molecule

ID:74714

General Information
Structure
MolImage
Molecular Formula
C₄H₅IN₂O
Molecular Mass
223.99977
Exact Mass
223.94466079
Charge
0
InChI
InChI=1S/C4H5IN2O/c1-2-3(5)4(6)7-8-2/h1H3,(H2,6,7)
InChIKey
ABSKCUUMSKWKSW-UHFFFAOYSA-N
Canonic Smiles
Nc1noc(c1I)C
Isomeric Smiles
n1c(c(c(o1)C)I)N
Calculated Properties
JChem
Acid pKa
16.07146
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2317421
LogD (pH = 7.4)
1.2318275
Log P
1.2318286
Molar Refractivity
41.0261
Polarizability
14.750911
Polar Surface Area
52.05
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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