Molecule

ID:50213

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-15-10-3-4-11(9(7-10)8-14)13-6-2-5-12-13/h2-8H,1H3
InChIKey
WBOASTROTLWICF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(OC)ccc1n1cccn1
Isomeric Smiles
n1(c2c(cc(cc2)OC)C=O)nccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6138391
LogD (pH = 7.4)
1.6138947
Log P
1.6138954
Molar Refractivity
57.4669
Polarizability
21.816782
Polar Surface Area
44.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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