Molecule

ID:76038

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-7-12-10(16-13-7)8-4-3-5-9(6-8)11(14)15-2/h3-6H,1-2H3
InChIKey
RCWCQJAHRPNWBF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)c1onc(n1)C
Isomeric Smiles
O(C(=O)c1cc(ccc1)c1nc(no1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4124482
LogD (pH = 7.4)
2.4124484
Log P
2.4124484
Molar Refractivity
68.4254
Polarizability
21.924767
Polar Surface Area
65.22
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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