Molecule

ID:35221

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-15-10-4-2-3-8(5-10)11-9(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)
InChIKey
MQLANCBGBSRAKS-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1n[nH]cc1C=O
Isomeric Smiles
c1(c(n[nH]c1)c1cc(OC)ccc1)C=O
Calculated Properties
JChem
Acid pKa
12.692927
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8653011
LogD (pH = 7.4)
1.8653339
Log P
1.8653365
Molar Refractivity
57.5568
Polarizability
22.50485
Polar Surface Area
54.98
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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