Chemical ID: 5986835

CC(=O)N1CCN(CC1)C(=O)c2cc(nn2c3cccc(c3)[N+](=O)[O-])c4ccccc4F
Chemical ID:
5986835
Name [?]:
1-[4-[5-(2-fluorophenyl)-2-(3-nitrophenyl)-pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone
SMILES [?]:
CC(=O)N1CCN(CC1)C(=O)c2cc(nn2c3cccc(c3)[N+](=O)[O-])c4ccccc4F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20FN5O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:5.27878
Area:639.226
Solvation:-10.7019
Coulombic:-52.0202
Bond Count [?]
All:35
Single:24
Double:11
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:437.424
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.94
LogP (Chemaxon):2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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