Molecule

ID:26147

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃ClO₄
Molecular Mass
304.72502
Exact Mass
304.05023658
Charge
0
InChI
InChI=1S/C16H13ClO4/c1-2-20-15-9-11(10-18)3-8-14(15)21-16(19)12-4-6-13(17)7-5-12/h3-10H,2H2,1H3
InChIKey
YIZWPZKKYYJJMS-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OC(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(Oc1c(cc(C=O)cc1)OCC)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.150365
LogD (pH = 7.4)
4.150365
Log P
4.150365
Molar Refractivity
80.4615
Polarizability
30.631039
Polar Surface Area
52.6
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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