Molecule

ID:20251

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClF₃NO₂
Molecular Mass
271.6639296
Exact Mass
271.058691
Charge
0
InChI
InChI=1S/C10H12F3NO2.ClH/c1-15-4-5-16-7-2-3-9(14)8(6-7)10(11,12)13;/h2-3,6H,4-5,14H2,1H3;1H
InChIKey
FIAUPDLROFWTCR-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(c(c1)C(F)(F)F)N.Cl
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)OCCOC)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8160754
LogD (pH = 7.4)
1.8175033
Log P
1.8175216
Molar Refractivity
54.2388
Polarizability
19.594774
Polar Surface Area
44.48
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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