The Biofilms Structural Database
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The Biofilms Structural Database |
Compound 11 |
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|---|---|
6Q7V |
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Code
HLK | |
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Name |
~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine |
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Molecular Weight |
285.24 |
|
Isomeric SMILES |
Nc1cc(NCc2ccc(F)cc2)cc(n1)C(F)(F)F |
|
Formula |
C13H11F4N3 |
|
Identifiers |
~{N}4-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C13H11F4N3/c14-9-3-1-8(2-4-9)7-19-10-5-11(13(15,16)17)20-12(18)6-10/h1-6H,7H2,(H3,18,19,20) |
|
Atom Count |
31 |
|
InChIKey |
NVURBNAAKDVJHE-UHFFFAOYSA-N |
|
PDB codes |
6Q7V |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
32 |
|
Aromatic Bond Count |
12 |
|
Leaving Atoms |
n/a |