Molecule

ID:40917

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃NO₃
Molecular Mass
279.29002
Exact Mass
279.08954328
Charge
0
InChI
InChI=1S/C17H13NO3/c1-10-15(17(20)21)13-4-2-3-5-14(13)18-16(10)11-6-8-12(19)9-7-11/h2-9,19H,1H3,(H,20,21)
InChIKey
XYOWIELPRZDONS-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)c1nc2ccccc2c(c1C)C(=O)O
Isomeric Smiles
n1c(c(c(c2c1cccc2)C(=O)O)C)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
3.4239242
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9204744
LogD (pH = 7.4)
0.61987585
Log P
3.8286252
Molar Refractivity
79.0218
Polarizability
32.62973
Polar Surface Area
70.42
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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