Molecule

ID:128789

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂F₃N₃O₅
Molecular Mass
359.2573896
Exact Mass
359.07290516
Charge
0
InChI
InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1
InChIKey
ZLHZLMOSPGACSZ-NSHDSACASA-N
Canonic Smiles
[O-][N+](=O)c1cn2c(n1)OC[C@H](C2)OCc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
[O-][N+](=O)c1cn2C[C@@H](COc2n1)OCc1ccc(OC(F)(F)F)cc1
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
4.1363235
LogD (pH = 7.4)
4.1363235
Log P
4.1363235
Molar Refractivity
73.9118
Polarizability
28.759819
Polar Surface Area
91.33
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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