Molecule

ID:58787

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆ClNO₄
Molecular Mass
333.76624
Exact Mass
333.07678568
Charge
0
InChI
InChI=1S/C17H16ClNO4/c1-22-15-10-16(23-2)13(18)8-12(15)14(20)9-17(21)19-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKey
RPZNXWNYCZZKSC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)c(cc1C(=O)CC(=O)Nc1ccccc1)Cl
Isomeric Smiles
C(=O)(CC(=O)Nc1ccccc1)c1cc(c(cc1OC)OC)Cl
Calculated Properties
JChem
Acid pKa
10.781565
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.1461236
LogD (pH = 7.4)
3.1459455
Log P
3.1461258
Molar Refractivity
88.8134
Polarizability
33.648937
Polar Surface Area
64.63
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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