Molecule

ID:95761

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClF₆N₂O₂
Molecular Mass
398.6875792
Exact Mass
398.02567454
Charge
0
InChI
InChI=1S/C15H9ClF6N2O2/c1-24-13(16)10(12(23-24)15(20,21)22)6-7-11(25)26-9-4-2-8(3-5-9)14(17,18)19/h2-7H,1H3
InChIKey
UGEMOBDEQOOCIO-UHFFFAOYSA-N
Canonic Smiles
O=C(Oc1ccc(cc1)C(F)(F)F)/C=C/c1c(Cl)n(nc1C(F)(F)F)C
Isomeric Smiles
n1c(c(c(n1C)Cl)/C=C/C(=O)Oc1ccc(cc1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0617347
LogD (pH = 7.4)
5.0617347
Log P
5.0617347
Molar Refractivity
92.8913
Polarizability
29.295292
Polar Surface Area
44.12
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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