Molecule

ID:99007

General Information
Structure
MolImage
Molecular Formula
C₁₂H₄ClF₅O₂
Molecular Mass
310.603976
Exact Mass
309.98199815
Charge
0
InChI
InChI=1S/C12H4ClF5O2/c13-11(19)5-4-8(20-10(5)12(16,17)18)9-6(14)2-1-3-7(9)15/h1-4H
InChIKey
UGHIHEBNSOTACX-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1c1cc(c(o1)C(F)(F)F)C(=O)Cl)F
Isomeric Smiles
o1c(cc(c1C(F)(F)F)C(=O)Cl)c1c(cccc1F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9548838
LogD (pH = 7.4)
3.9548838
Log P
3.9548838
Molar Refractivity
60.9838
Polarizability
22.834461
Polar Surface Area
30.21
Rotatable Bonds
3
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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