Molecule

ID:11598

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁F₃N₂O₂
Molecular Mass
294.3132496
Exact Mass
294.15551258
Charge
0
InChI
InChI=1S/C11H20N2.C2HF3O2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;3-2(4,5)1(6)7/h1-2,11-12H,3-10H2;(H,6,7)
InChIKey
USLGPXVCHBYELJ-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CC1CCC=CC1.OC(=O)C(F)(F)F
Isomeric Smiles
N1(CC2CC=CCC2)CCNCC1.O=C(O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.016437
LogD (pH = 7.4)
-1.1253881
Log P
1.4066027
Molar Refractivity
57.6051
Polarizability
22.376684
Polar Surface Area
15.27
Rotatable Bonds
3
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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