Molecule

ID:11636

General Information
Structure
Molecular Formula
C₁₃H₂₃F₃N₂O₂
Molecular Mass
296.3291296
Exact Mass
296.17116265
Charge
0
InChI
InChI=1S/C11H22N2.C2HF3O2/c1-10-4-8-13(9-5-10)11-2-6-12-7-3-11;3-2(4,5)1(6)7/h10-12H,2-9H2,1H3;(H,6,7)
InChIKey
LKIRVPAIUDLFQU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F.CC1CCN(CC1)C1CCNCC1
Isomeric Smiles
N1(C2CCNCC2)CCC(CC1)C.O=C(O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.96307
LogD (pH = 7.4)
-2.910813
Log P
0.9713129
Molar Refractivity
56.8351
Polarizability
22.610828
Polar Surface Area
15.27
Rotatable Bonds
2
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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