Molecule

ID:94936

General Information
Structure
MolImage
Molecular Formula
C₇H₂Cl₂F₂O
Molecular Mass
210.9929864
Exact Mass
209.94507648
Charge
0
InChI
InChI=1S/C7H2Cl2F2O/c8-4-2-6(11)5(10)1-3(4)7(9)12/h1-2H
InChIKey
WVGSPMZLNNRZRH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(F)c(cc1Cl)F
Isomeric Smiles
ClC(=O)c1c(cc(c(c1)F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.053607
LogD (pH = 7.4)
3.053607
Log P
3.053607
Molar Refractivity
42.4103
Polarizability
15.700418
Polar Surface Area
17.07
Rotatable Bonds
1
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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