Molecule

ID:91314

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₂
Molecular Mass
126.11334
Exact Mass
126.04292744
Charge
0
InChI
InChI=1S/C5H6N2O2/c1-3-4(5(6)8)9-2-7-3/h2H,1H3,(H2,6,8)
InChIKey
HBKBZJZRIWAICY-UHFFFAOYSA-N
Canonic Smiles
Cc1ncoc1C(=O)N
Isomeric Smiles
n1coc(c1C)C(=O)N
Calculated Properties
JChem
Acid pKa
13.065968
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1828513
LogD (pH = 7.4)
-1.1828504
Log P
-1.1828512
Molar Refractivity
30.3148
Polarizability
11.046423
Polar Surface Area
69.12
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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