Molecule

ID:51772

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c12-8-5-10-11(15-7-14-10)6-9(8)13-3-1-2-4-13/h1-6H,7,12H2
InChIKey
HPRMSIARSKWFEI-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2OCOc2cc1n1cccc1
Isomeric Smiles
c1(cc2c(cc1N)OCO2)n1cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.3949385
LogD (pH = 7.4)
1.4619747
Log P
1.4629
Molar Refractivity
66.2777
Polarizability
21.906485
Polar Surface Area
49.41
Rotatable Bonds
1
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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