Molecule

ID:65450

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₂
Molecular Mass
177.19984
Exact Mass
177.0789786
Charge
0
InChI
InChI=1S/C10H11NO2/c1-6-3-7-5-11-10(12)8(7)4-9(6)13-2/h3-4H,5H2,1-2H3,(H,11,12)
InChIKey
BTWSJGZHCFLRDH-UHFFFAOYSA-N
Canonic Smiles
COc1cc2C(=O)NCc2cc1C
Isomeric Smiles
c12C(=O)NCc1cc(c(c2)OC)C
Calculated Properties
JChem
Acid pKa
14.2393055
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1545396
LogD (pH = 7.4)
1.1545396
Log P
1.1545396
Molar Refractivity
50.0921
Polarizability
18.557701
Polar Surface Area
38.33
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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