Molecule

ID:7652

General Information
Structure
Molecular Formula
C₈H₅Cl₂FO
Molecular Mass
207.0291032
Exact Mass
205.97014836
Charge
0
InChI
InChI=1S/C8H5Cl2FO/c1-4-2-3-5(11)6(7(4)9)8(10)12/h2-3H,1H3
InChIKey
XJFKTIHKOKWAEF-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(F)ccc(c1Cl)C
Isomeric Smiles
c1cc(c(c(c1F)C(=O)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4243264
LogD (pH = 7.4)
3.4243264
Log P
3.4243264
Molar Refractivity
47.2351
Polarizability
17.566687
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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