Molecule

ID:41649

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₂NO
Molecular Mass
268.13854
Exact Mass
267.02176934
Charge
0
InChI
InChI=1S/C13H11Cl2NO/c14-10-6-11(15)13(7-12(10)16)17-8-9-4-2-1-3-5-9/h1-7H,8,16H2
InChIKey
OUOCSSKTOYFHRE-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(cc1OCc1ccccc1)N
Isomeric Smiles
c1c(c(cc(c1N)Cl)Cl)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
19.95001
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9191108
LogD (pH = 7.4)
3.9192097
Log P
3.9192111
Molar Refractivity
71.4438
Polarizability
27.324102
Polar Surface Area
35.25
Rotatable Bonds
3
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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