Molecule

ID:28792

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀F₃NO
Molecular Mass
323.3527096
Exact Mass
323.14969893
Charge
0
InChI
InChI=1S/C18H20F3NO/c1-3-14-7-9-17(10-8-14)23-13(2)12-22-16-6-4-5-15(11-16)18(19,20)21/h4-11,13,22H,3,12H2,1-2H3
InChIKey
BFKQZQQMCBHYGV-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OC(CNc1cccc(c1)C(F)(F)F)C
Isomeric Smiles
C(c1cc(NCC(Oc2ccc(cc2)CC)C)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.335964
LogD (pH = 7.4)
5.3424044
Log P
5.3424873
Molar Refractivity
86.8387
Polarizability
31.831102
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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