Molecule

ID:70823

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₂NO
Molecular Mass
163.98942
Exact Mass
162.95916908
Charge
0
InChI
InChI=1S/C5H3Cl2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)
InChIKey
YKCQWIYRLMNGMO-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(c1O)Cl
Isomeric Smiles
c1c(c(c(cn1)Cl)O)Cl
Calculated Properties
JChem
Acid pKa
7.2043705
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6517998
LogD (pH = 7.4)
1.2659752
Log P
1.6600974
Molar Refractivity
35.4916
Polarizability
13.975328
Polar Surface Area
33.12
Rotatable Bonds
0
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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