Molecule

ID:42134

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O
Molecular Mass
124.14052
Exact Mass
124.06366289
Charge
0
InChI
InChI=1S/C6H8N2O/c1-8-4-2-3-6(8)5-7-9/h2-5,9H,1H3/b7-5+
InChIKey
IUPMPNSDKOHWPJ-FNORWQNLSA-N
Canonic Smiles
O/N=C/c1cccn1C
Isomeric Smiles
n1(c(/C=N/O)ccc1)C
Calculated Properties
JChem
Acid pKa
12.272363
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.917883
LogD (pH = 7.4)
0.918772
Log P
0.91878927
Molar Refractivity
35.9967
Polarizability
13.050319
Polar Surface Area
37.52
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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