Molecule

ID:26183

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₂O₄
Molecular Mass
325.1435
Exact Mass
323.99561416
Charge
0
InChI
InChI=1S/C15H10Cl2O4/c1-20-14-6-9(8-18)2-5-13(14)21-15(19)11-4-3-10(16)7-12(11)17/h2-8H,1H3
InChIKey
MRMHFLRWGHDADP-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OC(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
c1(C(=O)Oc2c(cc(C=O)cc2)OC)c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.3976016
LogD (pH = 7.4)
4.3976016
Log P
4.3976016
Molar Refractivity
80.5177
Polarizability
30.7441
Polar Surface Area
52.6
Rotatable Bonds
5
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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