Molecule

ID:79238

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-4-2-5(10-8-4)6-3-7-9/h2-3,9H,1H3,(H,6,7)
InChIKey
UASWPWXQJPCYIO-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(on1)N/C=N/O
Isomeric Smiles
n1c(cc(o1)N/C=N/O)C
Calculated Properties
JChem
Acid pKa
10.115553
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.24331523
LogD (pH = 7.4)
-0.24389103
Log P
-0.24305616
Molar Refractivity
35.539
Polarizability
12.5935955
Polar Surface Area
70.65
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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