Molecule

ID:20303

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClF₃NO
Molecular Mass
301.6914496
Exact Mass
301.04812632
Charge
0
InChI
InChI=1S/C14H11ClF3NO/c1-8-6-9(2-4-12(8)15)20-10-3-5-13(19)11(7-10)14(16,17)18/h2-7H,19H2,1H3
InChIKey
OUZGDXDLIWDKBD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1C)Oc1ccc(c(c1)C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)Oc1cc(c(cc1)Cl)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.6396527
LogD (pH = 7.4)
4.6399183
Log P
4.6399217
Molar Refractivity
72.8189
Polarizability
26.536545
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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