Molecule

ID:27033

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂NO₃
Molecular Mass
264.10524
Exact Mass
263.01159858
Charge
0
InChI
InChI=1S/C10H11Cl2NO3/c1-15-8-4-9(16-2)7(3-6(8)12)13-10(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)
InChIKey
ZNZPWAUYDVUDTN-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1cc(Cl)c(cc1OC)OC
Isomeric Smiles
c1(cc(c(cc1OC)OC)Cl)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
12.09107
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.037002
LogD (pH = 7.4)
2.0369937
Log P
2.037002
Molar Refractivity
63.4054
Polarizability
24.093115
Polar Surface Area
47.56
Rotatable Bonds
4
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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