Molecule

ID:80625

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₄
Molecular Mass
297.3053
Exact Mass
297.10010797
Charge
0
InChI
InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)
InChIKey
BSOYWTITVKXHLM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1Cc2c(N1C(=O)OCc1ccccc1)cccc2
Isomeric Smiles
N1(C(Cc2ccccc12)C(=O)O)C(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.8143091
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4602375
LogD (pH = 7.4)
-0.10713851
Log P
3.1486146
Molar Refractivity
79.4126
Polarizability
30.804813
Polar Surface Area
66.84
Rotatable Bonds
4
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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