Molecule

ID:98122

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(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey
AVNULYVUAIRSFH-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)cc(cc1F)Cl
Isomeric Smiles
O(c1c(cc(cc1F)Cl)F)C
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
14.29091
Polar Surface Area
9.23
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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