Molecule

ID:28795

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀F₃NO
Molecular Mass
323.3527096
Exact Mass
323.14969893
Charge
0
InChI
InChI=1S/C18H20F3NO/c1-13(2)12-23-17-8-3-5-14(9-17)11-22-16-7-4-6-15(10-16)18(19,20)21/h3-10,13,22H,11-12H2,1-2H3
InChIKey
SPELREZFZSLNPB-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cccc(c1)CNc1cccc(c1)C(F)(F)F)C
Isomeric Smiles
C(c1cc(NCc2cc(OCC(C)C)ccc2)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1313915
LogD (pH = 7.4)
5.134932
Log P
5.1349773
Molar Refractivity
87.0455
Polarizability
31.901464
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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