Molecule

ID:40802

General Information
Structure
Molecular Formula
C₁₇H₁₅NO₄
Molecular Mass
297.3053
Exact Mass
297.10010797
Charge
0
InChI
InChI=1S/C17H15NO4/c1-2-22-17(21)16(20)18-14-11-7-6-10-13(14)15(19)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,18,20)
InChIKey
IRJDIZCPHLFVRA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)Nc1ccccc1C(=O)c1ccccc1
Isomeric Smiles
c1(C(=O)c2ccccc2)c(NC(=O)C(=O)OCC)cccc1
Calculated Properties
JChem
Acid pKa
10.046287
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.015927
LogD (pH = 7.4)
4.015008
Log P
4.0159388
Molar Refractivity
82.8091
Polarizability
31.30866
Polar Surface Area
72.47
Rotatable Bonds
6
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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