Molecule

ID:56699

General Information
Structure
MolImage
Molecular Formula
C₉H₇Cl₂FO₂
Molecular Mass
237.0550832
Exact Mass
235.98071304
Charge
0
InChI
InChI=1S/C9H7Cl2FO2/c1-5(9(11)13)14-8-3-2-6(12)4-7(8)10/h2-5H,1H3
InChIKey
ATCGXBUVEUKHDO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccc(cc1Cl)F)C
Isomeric Smiles
O(c1c(cc(cc1)F)Cl)C(C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1423984
LogD (pH = 7.4)
3.1423984
Log P
3.1423984
Molar Refractivity
51.9794
Polarizability
20.225445
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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