Molecule

ID:20197

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClF₃NO
Molecular Mass
301.6914496
Exact Mass
301.04812632
Charge
0
InChI
InChI=1S/C14H11ClF3NO/c1-8-2-4-11(15)13(6-8)20-12-5-3-9(19)7-10(12)14(16,17)18/h2-7H,19H2,1H3
InChIKey
JKNYUZITOIDRKL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)Oc1cc(C)ccc1Cl
Isomeric Smiles
c1(C(F)(F)F)c(Oc2c(ccc(c2)C)Cl)ccc(c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.637024
LogD (pH = 7.4)
4.639885
Log P
4.6399217
Molar Refractivity
72.8189
Polarizability
26.558884
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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