Molecule

ID:93645

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈F₆N₂O₂
Molecular Mass
324.2632392
Exact Mass
324.12724715
Charge
0
InChI
InChI=1S/C11H18F6N2O2/c12-10(13,14)8(20)6-18-2-1-3-19(5-4-18)7-9(21)11(15,16)17/h8-9,20-21H,1-7H2
InChIKey
WIMBFQAYZDLXAW-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)CN1CCCN(CC1)CC(C(F)(F)F)O
Isomeric Smiles
N1(CCCN(CC(C(F)(F)F)O)CC1)CC(O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
10.757459
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.7982253
LogD (pH = 7.4)
-0.014707965
Log P
0.7467714
Molar Refractivity
63.7288
Polarizability
23.713762
Polar Surface Area
46.94
Rotatable Bonds
6
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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