Chemical ID: 5986836

c1ccc(c(c1)c2cc(n(n2)c3cccc(c3)[N+](=O)[O-])C(=O)NCc4cccc(c4)C(F)(F)F)F
Chemical ID:
5986836
Name [?]:
5-(2-fluorophenyl)-2-(3-nitrophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILES [?]:
c1ccc(c(c1)c2cc(n(n2)c3cccc(c3)[N+](=O)[O-])C(=O)NCc4cccc(c4)C(F)(F)F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H16F4N4O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:6.99567
Area:687.542
Solvation:-10.1929
Coulombic:-62.5941
Bond Count [?]
All:38
Single:25
Double:13
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:484.403
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.0
LogP (Chemaxon):5.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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