Molecule

ID:31945

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅F₃N₂
Molecular Mass
232.2454096
Exact Mass
232.11873315
Charge
0
InChI
InChI=1S/C11H15F3N2/c1-16(2)10(7-15)8-4-3-5-9(6-8)11(12,13)14/h3-6,10H,7,15H2,1-2H3
InChIKey
WSFINPCMQGMMKB-UHFFFAOYSA-N
Canonic Smiles
NCC(c1cccc(c1)C(F)(F)F)N(C)C
Isomeric Smiles
C(c1cc(C(N(C)C)CN)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.839059
LogD (pH = 7.4)
0.3370615
Log P
2.0552742
Molar Refractivity
58.1944
Polarizability
21.750853
Polar Surface Area
29.26
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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