Molecule
ID:124720
General Information
Molecular Formula
C₅H₆N₂O₂
Molecular Mass
126.11334
Exact Mass
126.04292744
Charge
0
InChI
InChI=1S/C5H6N2O2/c1-7-4(8)2-3(6)5(7)9/h2H,6H2,1H3
InChIKey
BUHSFNMBRJMUJL-UHFFFAOYSA-N
Canonic Smiles
NC1=CC(=O)N(C1=O)C
Isomeric Smiles
N1(C(=O)C(=CC1=O)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5680662
LogD (pH = 7.4)
-1.5680654
Log P
-1.5680654
Molar Refractivity
31.873
Polarizability
11.478342
Polar Surface Area
63.4
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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