Molecule

ID:129284

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₃
Molecular Mass
283.32178
Exact Mass
283.12084341
Charge
0
InChI
InChI=1S/C17H17NO3/c1-2-21-17(20)18-16(19)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,18,19,20)
InChIKey
ILSZPWZFQHSKLW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NC(=O)C(c1ccccc1)c1ccccc1
Isomeric Smiles
c1ccccc1C(C(=O)NC(=O)OCC)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.454233
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4450724
LogD (pH = 7.4)
3.4092531
Log P
3.4455492
Molar Refractivity
79.7954
Polarizability
31.096199
Polar Surface Area
55.4
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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