Molecule

ID:27330

General Information
Structure
MolImage
Molecular Formula
C₅H₇IN₄O
Molecular Mass
266.03975
Exact Mass
265.96645886
Charge
0
InChI
InChI=1S/C5H7IN4O/c1-10-2-3(6)4(9-10)5(11)8-7/h2H,7H2,1H3,(H,8,11)
InChIKey
VCYHJTNZWXLRFR-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(c(n1)C(=O)NN)I
Isomeric Smiles
c1(c(cn(n1)C)I)C(=O)NN
Calculated Properties
JChem
Acid pKa
10.964617
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.26956967
LogD (pH = 7.4)
0.2699542
Log P
0.27006528
Molar Refractivity
61.5144
Polarizability
18.681917
Polar Surface Area
72.94
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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