Molecule

ID:98267

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀ClF₆NO₂
Molecular Mass
289.6032192
Exact Mass
289.03042557
Charge
0
InChI
InChI=1S/C7H9F6NO2.ClH/c1-16-5(15)3(14)2-4(6(8,9)10)7(11,12)13;/h3-4H,2,14H2,1H3;1H/t3-;/m1./s1
InChIKey
IFMIFJDRHDDTMH-AENDTGMFSA-N
Canonic Smiles
COC(=O)[C@@H](CC(C(F)(F)F)C(F)(F)F)N.Cl
Isomeric Smiles
N[C@H](CC(C(F)(F)F)C(F)(F)F)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5467058
LogD (pH = 7.4)
1.0238757
Log P
1.3100129
Molar Refractivity
40.7304
Polarizability
15.48655
Polar Surface Area
52.32
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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