Molecule

ID:82889

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃
Molecular Mass
218.2087
Exact Mass
218.06914219
Charge
0
InChI
InChI=1S/C11H10N2O3/c1-7-10(11(14)16-2)12-8-5-3-4-6-9(8)13(7)15/h3-6H,1-2H3
InChIKey
PMOVVYDWLXSPQT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc2ccccc2[n+](c1C)[O-]
Isomeric Smiles
[n+]1(c(c(nc2ccccc12)C(=O)OC)C)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1065347
LogD (pH = 7.4)
1.1065348
Log P
1.1065348
Molar Refractivity
58.1294
Polarizability
22.724829
Polar Surface Area
64.65
Rotatable Bonds
2
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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