Molecule

ID:96067

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClF₆N₂
Molecular Mass
318.6459792
Exact Mass
318.0358453
Charge
0
InChI
InChI=1S/C11H9ClF6N2/c1-20(2)19-9(12)6-3-7(10(13,14)15)5-8(4-6)11(16,17)18/h3-5H,1-2H3
InChIKey
RUFMKOCSXHUAHN-UHFFFAOYSA-N
Canonic Smiles
CN(/N=C(/c1cc(cc(c1)C(F)(F)F)C(F)(F)F)\Cl)C
Isomeric Smiles
N(=C(\c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/Cl)/N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8018103
LogD (pH = 7.4)
3.8018112
Log P
3.8018112
Molar Refractivity
64.2706
Polarizability
22.585777
Polar Surface Area
15.6
Rotatable Bonds
4
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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