Molecule

ID:95368

General Information
Structure
MolImage
Molecular Formula
C₁₅H₇ClF₃N₃O₃
Molecular Mass
369.6825896
Exact Mass
369.01280344
Charge
0
InChI
InChI=1S/C15H7ClF3N3O3/c16-12-6-5-10(22(23)24)7-11(12)14-21-20-13(25-14)8-1-3-9(4-2-8)15(17,18)19/h1-7H
InChIKey
ZGBMWTIQGVOMDQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1c1nnc(o1)c1ccc(cc1)C(F)(F)F)[N+](=O)[O-]
Isomeric Smiles
o1c(nnc1c1ccc(cc1)C(F)(F)F)c1c(ccc(c1)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.4261036
LogD (pH = 7.4)
4.4261036
Log P
4.4261036
Molar Refractivity
105.29
Polarizability
31.019623
Polar Surface Area
84.74
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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