Molecule

ID:84563

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-2-15-11(14)8-3-4-9-10(7-8)13-6-5-12-9/h3-7H,2H2,1H3
InChIKey
KGGWBCOZLWDYSQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)nccn2
Isomeric Smiles
n1c2cc(ccc2ncc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6593487
LogD (pH = 7.4)
1.6593632
Log P
1.6593633
Molar Refractivity
54.2243
Polarizability
22.318539
Polar Surface Area
52.08
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
No Data Available
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Molecule Details
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References
Bioactivity
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