Molecule

ID:69415

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₂NO
Molecular Mass
163.98942
Exact Mass
162.95916908
Charge
0
InChI
InChI=1S/C5H3Cl2NO/c6-3-1-5(7)8-2-4(3)9/h1-2,9H
InChIKey
GJPWOBLZTKMZFN-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)Cl)O
Isomeric Smiles
c1c(c(cc(n1)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
6.8254876
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.860665
LogD (pH = 7.4)
1.2374324
Log P
1.8802747
Molar Refractivity
36.5529
Polarizability
13.9878845
Polar Surface Area
33.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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