Chemical ID: 5987611

c1ccc(c(c1)c2cc(n(n2)c3cccc(c3)[N+](=O)[O-])C(=O)N4CCC(CC4)C(=O)N)Cl
Chemical ID:
5987611
Name [?]:
1-[5-(2-chlorophenyl)-2-(3-nitrophenyl)-pyrazol-3-yl]carbonylpiperidine-4-carboxamide
SMILES [?]:
c1ccc(c(c1)c2cc(n(n2)c3cccc(c3)[N+](=O)[O-])C(=O)N4CCC(CC4)C(=O)N)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20ClN5O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:6.77197
Area:650.189
Solvation:-9.48275
Coulombic:-59.2774
Bond Count [?]
All:35
Single:24
Double:11
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:453.878
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.16
LogP (Chemaxon):2.65

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue