Molecule

ID:80378

General Information
Structure
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-13-8-10(4-7-12(13)15)9-2-5-11(14)6-3-9/h2-8,14H,1H3
InChIKey
LERPMWZXNWLARZ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)c1ccc(=O)n(c1)C
Isomeric Smiles
n1(cc(c2ccc(cc2)O)ccc1=O)C
Calculated Properties
JChem
Acid pKa
9.3595295
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4528116
LogD (pH = 7.4)
1.4481584
Log P
1.4528712
Molar Refractivity
59.2999
Polarizability
22.045012
Polar Surface Area
40.54
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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