Molecule

ID:57965

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c1-7(13)9(12-15)10(14)11-8-5-3-2-4-6-8/h2-6,15H,1H3,(H,11,14)/b12-9-
InChIKey
UWYXIAWYMDVVGK-XFXZXTDPSA-N
Canonic Smiles
O/N=C(/C(=O)C)\C(=O)Nc1ccccc1
Isomeric Smiles
c1(ccccc1)NC(=O)/C(=N\O)/C(=O)C
Calculated Properties
JChem
Acid pKa
1.5839723
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.5658364
LogD (pH = 7.4)
-0.5773744
Log P
1.7988753
Molar Refractivity
55.4347
Polarizability
20.422655
Polar Surface Area
78.76
Rotatable Bonds
3
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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