Molecule
ID:97289
General Information
Molecular Formula
C₇H₃ClF₂O
Molecular Mass
176.5479264
Exact Mass
175.98404884
Charge
0
InChI
InChI=1S/C7H3ClF2O/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H
InChIKey
DPTKNPFAROLZMD-UHFFFAOYSA-N
Canonic Smiles
FC(=O)c1ccc(c(c1)Cl)F
Isomeric Smiles
Clc1cc(ccc1F)C(=O)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6233158
LogD (pH = 7.4)
2.6233158
Log P
2.6233158
Molar Refractivity
37.5589
Polarizability
13.751463
Polar Surface Area
17.07
Rotatable Bonds
1
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
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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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