Molecule

ID:57469

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-6-2-3-9-7(4-6)8(5-10(13)14)11(15)12-9/h2-4,8H,5H2,1H3,(H,12,15)(H,13,14)
InChIKey
UUCMKMSXYMSZJV-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2C(CC(=O)O)C(=O)Nc2cc1
Isomeric Smiles
c1cc2c(cc1C)C(C(=O)N2)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.1660204
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.09811028
LogD (pH = 7.4)
-1.8035018
Log P
1.2527847
Molar Refractivity
55.467
Polarizability
20.469942
Polar Surface Area
66.4
Rotatable Bonds
2
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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