Molecule

ID:34567

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₃N₂O
Molecular Mass
260.2555096
Exact Mass
260.11364777
Charge
0
InChI
InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-9(2-4-11)17-10-5-7-16-8-6-10/h1-4,10,16-17H,5-8H2
InChIKey
RSADOPHGOBYIGR-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)NC1CCNCC1)(F)F
Isomeric Smiles
N1CCC(CC1)Nc1ccc(cc1)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7207694
LogD (pH = 7.4)
0.025079796
Log P
2.5208938
Molar Refractivity
59.4785
Polarizability
23.276163
Polar Surface Area
33.29
Rotatable Bonds
4
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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