Molecule
ID:58184
General Information
Molecular Formula
C₆H₈IN₃O
Molecular Mass
265.05169
Exact Mass
264.97120989
Charge
0
InChI
InChI=1S/C6H8IN3O/c1-4(6(8)11)10-3-5(7)2-9-10/h2-4H,1H3,(H2,8,11)
InChIKey
PRVSVEZBFGSWGL-UHFFFAOYSA-N
Canonic Smiles
CC(n1cc(cn1)I)C(=O)N
Isomeric Smiles
n1(cc(cn1)I)C(C)C(=O)N
Calculated Properties
JChem
Acid pKa
14.318487
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.56983525
LogD (pH = 7.4)
0.5698551
Log P
0.5698553
Molar Refractivity
60.7246
Polarizability
19.278227
Polar Surface Area
60.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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