Molecule

ID:20182

General Information
Structure
Molecular Formula
C₁₁H₁₅ClF₃NO
Molecular Mass
269.6911096
Exact Mass
269.07942645
Charge
0
InChI
InChI=1S/C11H14F3NO.ClH/c1-2-3-6-16-10-5-4-8(15)7-9(10)11(12,13)14;/h4-5,7H,2-3,6,15H2,1H3;1H
InChIKey
TXMDOXXIWTWWQH-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1C(F)(F)F)N.Cl
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)N)OCCCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1698017
LogD (pH = 7.4)
3.1881568
Log P
3.188396
Molar Refractivity
57.0689
Polarizability
20.620966
Polar Surface Area
35.25
Rotatable Bonds
5
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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