Molecule

ID:126719

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₅ClO₄
Molecular Mass
342.773
Exact Mass
342.06588664
Charge
0
InChI
InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,23H,10H2,1H3
InChIKey
HENZOLWOIZODCT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CC(c1c(O)oc2c(c1=O)cccc2)c1ccc(cc1)Cl
Isomeric Smiles
CC(=O)CC(c1ccc(cc1)Cl)c1c(oc2ccccc2c1=O)O
Calculated Properties
JChem
Acid pKa
7.5452766
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.1205072
LogD (pH = 7.4)
3.8900552
Log P
4.1244016
Molar Refractivity
100.7906
Polarizability
35.135403
Polar Surface Area
63.6
Rotatable Bonds
4
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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