Molecule

ID:41416

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-2-3(4(6)9)5(7)10-8-2/h7H2,1H3,(H2,6,9)
InChIKey
KDSCHAHLJUDMHT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(N)onc1C
Isomeric Smiles
c1(c(onc1C)N)C(=O)N
Calculated Properties
JChem
Acid pKa
12.795966
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.76996905
LogD (pH = 7.4)
-0.7698336
Log P
-0.76983327
Molar Refractivity
35.1236
Polarizability
12.2163105
Polar Surface Area
95.14
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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