Molecule

ID:20205

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈F₃NO
Molecular Mass
309.3261296
Exact Mass
309.13404886
Charge
0
InChI
InChI=1S/C17H18F3NO/c1-10(2)12-5-4-11(3)16(8-12)22-15-7-6-13(21)9-14(15)17(18,19)20/h4-10H,21H2,1-3H3
InChIKey
WGXCOCFFQULHJE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)Oc1cc(ccc1C)C(C)C
Isomeric Smiles
c1(C(F)(F)F)c(Oc2cc(ccc2C)C(C)C)ccc(c1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.2766685
LogD (pH = 7.4)
5.280833
Log P
5.280886
Molar Refractivity
82.2049
Polarizability
29.982986
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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