Molecule

ID:39665

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₂O₂
Molecular Mass
205.03804
Exact Mass
203.97448479
Charge
0
InChI
InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKey
WICGATIORFSOJL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
C(=O)(c1cc(c(cc1)Cl)Cl)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.184812
LogD (pH = 7.4)
3.184812
Log P
3.184812
Molar Refractivity
47.6929
Polarizability
18.613436
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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