Molecule

ID:44360

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈F₃NO₂
Molecular Mass
301.3041296
Exact Mass
301.12896348
Charge
0
InChI
InChI=1S/C15H18F3NO2/c1-21-14(20)12-4-2-3-11(9-12)10-19-7-5-13(6-8-19)15(16,17)18/h2-4,9,13H,5-8,10H2,1H3
InChIKey
RYBPVJVFLQTAJS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)CN1CCC(CC1)C(F)(F)F
Isomeric Smiles
C1(CCN(CC1)Cc1cc(ccc1)C(=O)OC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1653934
LogD (pH = 7.4)
2.8665287
Log P
3.3327992
Molar Refractivity
74.1745
Polarizability
27.691032
Polar Surface Area
29.54
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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