Molecule

ID:28791

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈F₃NO
Molecular Mass
309.3261296
Exact Mass
309.13404886
Charge
0
InChI
InChI=1S/C17H18F3NO/c1-2-10-22-16-8-6-13(7-9-16)12-21-15-5-3-4-14(11-15)17(18,19)20/h3-9,11,21H,2,10,12H2,1H3
InChIKey
HGWFCELJGYAGGY-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)CNc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(NCc2ccc(cc2)OCCC)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.7663913
LogD (pH = 7.4)
4.769959
Log P
4.7700047
Molar Refractivity
82.5739
Polarizability
30.07319
Polar Surface Area
21.26
Rotatable Bonds
7
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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