Molecule

ID:96078

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₃N₃O₂
Molecular Mass
265.5765296
Exact Mass
264.98658869
Charge
0
InChI
InChI=1S/C8H3ClF3N3O2/c1-3-6(15(16)17)5(8(10,11)12)4(2-13)7(9)14-3/h1H3
InChIKey
FNSVJEGHKFDQGK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)nc(c(c1C(F)(F)F)[N+](=O)[O-])C
Isomeric Smiles
[N+](=O)(c1c(c(c(nc1C)Cl)C#N)C(F)(F)F)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3850942
LogD (pH = 7.4)
2.3850942
Log P
2.3850942
Molar Refractivity
53.3787
Polarizability
18.560627
Polar Surface Area
82.5
Rotatable Bonds
2
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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