Molecule

ID:20271

General Information
Structure
Molecular Formula
C₁₁H₁₄F₃NO₂
Molecular Mass
249.2295696
Exact Mass
249.09766335
Charge
0
InChI
InChI=1S/C11H14F3NO2/c1-16-5-2-6-17-8-3-4-10(15)9(7-8)11(12,13)14/h3-4,7H,2,5-6,15H2,1H3
InChIKey
IXMLXNGVALULDC-UHFFFAOYSA-N
Canonic Smiles
COCCCOc1ccc(c(c1)C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)OCCCOC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8760579
LogD (pH = 7.4)
1.8774633
Log P
1.8774813
Molar Refractivity
59.1042
Polarizability
21.394176
Polar Surface Area
44.48
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
No Data Available
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Molecule Details
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References
Bioactivity
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