Molecule

ID:19586

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁Cl₂NO
Molecular Mass
268.13854
Exact Mass
267.02176934
Charge
0
InChI
InChI=1S/C13H11Cl2NO/c1-8-5-6-9(14)12(7-8)17-13-10(15)3-2-4-11(13)16/h2-7H,16H2,1H3
InChIKey
KPCUSJHDICUJMN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)Oc1c(N)cccc1Cl)Cl
Isomeric Smiles
c1(Oc2c(ccc(c2)C)Cl)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.932339
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.3658667
LogD (pH = 7.4)
4.3661146
Log P
4.366118
Molar Refractivity
71.65
Polarizability
27.338076
Polar Surface Area
35.25
Rotatable Bonds
2
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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