Molecule

ID:100145

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClF₂O₂
Molecular Mass
206.5739064
Exact Mass
205.99461352
Charge
0
InChI
InChI=1S/C8H5ClF2O2/c1-13-4-2-5(10)7(8(9)12)6(11)3-4/h2-3H,1H3
InChIKey
QVJWYHJWQQEEKW-UHFFFAOYSA-N
Canonic Smiles
COc1cc(F)c(c(c1)F)C(=O)Cl
Isomeric Smiles
ClC(=O)c1c(cc(cc1F)OC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2918909
LogD (pH = 7.4)
2.2918909
Log P
2.2918909
Molar Refractivity
44.0687
Polarizability
16.252241
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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