Molecule

ID:94918

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₂O
Molecular Mass
176.5479264
Exact Mass
175.98404884
Charge
0
InChI
InChI=1S/C7H3ClF2O/c8-6-5(9)2-1-4(3-11)7(6)10/h1-3H
InChIKey
PDBQQCWWJXDNJO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1F)Cl)F
Isomeric Smiles
O=Cc1ccc(c(c1F)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
13.747793
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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