Molecule
ID:22347
General Information
Molecular Formula
C₇H₅ClF₂O
Molecular Mass
178.5638064
Exact Mass
177.9996989
Charge
0
InChI
InChI=1S/C7H5ClF2O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChIKey
SYJQEQBXNOPBAT-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)Cl)F
Isomeric Smiles
c1(ccc(cc1)OC(F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3463774
LogD (pH = 7.4)
3.3463774
Log P
3.3463774
Molar Refractivity
37.3349
Polarizability
14.342823
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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