Molecule

ID:41496

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-15-11(14)9-4-5-10(12-8-9)13-6-2-3-7-13/h2-8H,1H3
InChIKey
YWPDUWLRKKEHKQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(nc1)n1cccc1
Isomeric Smiles
n1(c2ncc(C(=O)OC)cc2)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0952988
LogD (pH = 7.4)
2.0960898
Log P
2.0961
Molar Refractivity
65.9923
Polarizability
21.167526
Polar Surface Area
44.12
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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