Molecule

ID:48374

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClF₃N₂O
Molecular Mass
266.6474096
Exact Mass
266.04337529
Charge
0
InChI
InChI=1S/C10H10ClF3N2O/c11-8-5-7(10(12,13)14)6-15-9(8)16-1-3-17-4-2-16/h5-6H,1-4H2
InChIKey
BUXBRHIWNDBNPK-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1N1CCOCC1)C(F)(F)F
Isomeric Smiles
c1(ncc(C(F)(F)F)cc1Cl)N1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7172809
LogD (pH = 7.4)
2.7214146
Log P
2.7214675
Molar Refractivity
58.4962
Polarizability
21.158157
Polar Surface Area
25.36
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
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Molecule Details
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References
Bioactivity
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