Molecule

ID:43513

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClF₃NO₂
Molecular Mass
269.6480496
Exact Mass
269.04304094
Charge
0
InChI
InChI=1S/C10H10F3NO2.ClH/c1-16-9(15)8(14)6-2-4-7(5-3-6)10(11,12)13;/h2-5,8H,14H2,1H3;1H
InChIKey
OJQJUZZRIPUIBP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccc(cc1)C(F)(F)F)N.Cl
Isomeric Smiles
c1c(ccc(c1)C(C(=O)OC)N)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.63750285
LogD (pH = 7.4)
1.7415
Log P
1.8126963
Molar Refractivity
51.1041
Polarizability
19.355368
Polar Surface Area
52.32
Rotatable Bonds
4
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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