Molecule
ID:69236
General Information
Molecular Formula
C₇H₃ClF₂O
Molecular Mass
176.5479264
Exact Mass
175.98404884
Charge
0
InChI
InChI=1S/C7H3ClF2O/c8-5-2-6(9)4(3-11)1-7(5)10/h1-3H
InChIKey
XPZYVMBPIANKJG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)c(cc1F)Cl
Isomeric Smiles
C(=O)c1c(cc(c(c1)F)Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5751967
LogD (pH = 7.4)
2.5751967
Log P
2.5751967
Molar Refractivity
37.8796
Polarizability
13.729856
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
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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