Molecule

ID:13847

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₄
Molecular Mass
271.26802
Exact Mass
271.0844579
Charge
0
InChI
InChI=1S/C15H13NO4/c17-14(13-6-3-7-20-13)16-9-11-5-2-1-4-10(11)8-12(16)15(18)19/h1-7,12H,8-9H2,(H,18,19)
InChIKey
AYMBVSQNDBSFNW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Cc2ccccc2CN1C(=O)c1ccco1
Isomeric Smiles
N1(C(Cc2c(C1)cccc2)C(=O)O)C(=O)c1ccco1
Calculated Properties
JChem
Acid pKa
3.8330166
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.115472294
LogD (pH = 7.4)
-1.4611222
Log P
1.7857862
Molar Refractivity
71.0728
Polarizability
26.822746
Polar Surface Area
70.75
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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