Molecule

ID:43791

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₂NO
Molecular Mass
268.13854
Exact Mass
267.02176934
Charge
0
InChI
InChI=1S/C13H11Cl2NO/c14-7-11-6-12(15)13(8-16-11)17-9-10-4-2-1-3-5-10/h1-6,8H,7,9H2
InChIKey
HKZQPUHZXRZWHR-UHFFFAOYSA-N
Canonic Smiles
ClCc1ncc(c(c1)Cl)OCc1ccccc1
Isomeric Smiles
c1(c(cc(nc1)CCl)Cl)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5939198
LogD (pH = 7.4)
3.5951185
Log P
3.5951338
Molar Refractivity
69.1264
Polarizability
27.09781
Polar Surface Area
22.12
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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