Molecule

ID:78650

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₂O₂
Molecular Mass
205.03804
Exact Mass
203.97448479
Charge
0
InChI
InChI=1S/C8H6Cl2O2/c1-5(11)12-8-3-2-6(9)4-7(8)10/h2-4H,1H3
InChIKey
KGXUYVOKSRCTEK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(cc1Cl)Cl
Isomeric Smiles
O(c1c(cc(cc1)Cl)Cl)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7885962
LogD (pH = 7.4)
2.7885962
Log P
2.7885962
Molar Refractivity
46.8
Polarizability
18.604448
Polar Surface Area
26.3
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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