Molecule

ID:20290

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈ClF₄NO
Molecular Mass
305.6553328
Exact Mass
305.02305444
Charge
0
InChI
InChI=1S/C13H8ClF4NO/c14-10-6-8(1-3-11(10)15)20-7-2-4-12(19)9(5-7)13(16,17)18/h1-6H,19H2
InChIKey
USLXNOXCSVFBLZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1Cl)Oc1ccc(c(c1)C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)Oc1cc(c(cc1)F)Cl)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.269017
LogD (pH = 7.4)
4.2692
Log P
4.269202
Molar Refractivity
67.9941
Polarizability
24.672882
Polar Surface Area
35.25
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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