Molecule

ID:7280

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₂O
Molecular Mass
178.5638064
Exact Mass
177.9996989
Charge
0
InChI
InChI=1S/C7H5ClF2O/c1-11-7-5(10)3-2-4(9)6(7)8/h2-3H,1H3
InChIKey
LLMVUPUEULMHRP-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)ccc(c1Cl)F
Isomeric Smiles
c1cc(c(c(c1F)OC)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.705023
LogD (pH = 7.4)
2.705023
Log P
2.705023
Molar Refractivity
37.7588
Polarizability
14.33442
Polar Surface Area
9.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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