Molecule

ID:11638

General Information
Structure
Molecular Formula
C₁₁H₁₉F₃N₂O₃
Molecular Mass
284.2753696
Exact Mass
284.13477714
Charge
0
InChI
InChI=1S/C9H18N2O.C2HF3O2/c1-3-10-4-2-9(1)11-5-7-12-8-6-11;3-2(4,5)1(6)7/h9-10H,1-8H2;(H,6,7)
InChIKey
NVOBWSNMRLIOGG-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)N1CCOCC1.OC(=O)C(F)(F)F
Isomeric Smiles
N1(C2CCNCC2)CCOCC1.O=C(C(F)(F)F)O
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.6435723
LogD (pH = 7.4)
-3.1279662
Log P
-0.3845728
Molar Refractivity
49.219
Polarizability
19.593437
Polar Surface Area
24.5
Rotatable Bonds
2
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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