Molecule

ID:41966

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-7-4-9(13-12-7)8-2-3-10-11(5-8)15-6-14-10/h2-5H,6H2,1H3,(H,12,13)
InChIKey
MSXIVFVHUICSJC-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]nc(c1)c1ccc2c(c1)OCO2
Isomeric Smiles
n1c(cc([nH]1)C)c1cc2c(OCO2)cc1
Calculated Properties
JChem
Acid pKa
14.917191
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1328087
LogD (pH = 7.4)
2.133294
Log P
2.1333003
Molar Refractivity
55.4262
Polarizability
22.30555
Polar Surface Area
47.14
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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