Molecule

ID:43303

General Information
Structure
MolImage
Molecular Formula
C₅H₇IN₄
Molecular Mass
250.04035
Exact Mass
249.97154424
Charge
0
InChI
InChI=1S/C5H7IN4/c1-2-3(6)4(7)10-5(8)9-2/h1H3,(H4,7,8,9,10)
InChIKey
QMUTWHHZQHROTK-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(C)c(c(n1)N)I
Isomeric Smiles
n1c(c(c(nc1N)C)I)N
Calculated Properties
JChem
Acid pKa
16.92832
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.95304704
LogD (pH = 7.4)
0.36927557
Log P
0.72544175
Molar Refractivity
50.3366
Polarizability
17.978413
Polar Surface Area
77.82
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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