Molecule

ID:44356

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈F₃NO
Molecular Mass
285.3047296
Exact Mass
285.13404886
Charge
0
InChI
InChI=1S/C15H18F3NO/c16-15(17,18)14-5-8-19(9-6-14)7-4-12-2-1-3-13(10-12)11-20/h1-3,10-11,14H,4-9H2
InChIKey
GLQWIAKPLYCPDZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)CCN1CCC(CC1)C(F)(F)F
Isomeric Smiles
C1(CCN(CC1)CCc1cccc(c1)C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1550814
LogD (pH = 7.4)
2.8586414
Log P
3.3304856
Molar Refractivity
73.4882
Polarizability
26.876045
Polar Surface Area
20.31
Rotatable Bonds
5
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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