Chemical ID: 5985229

Cc1cccc(c1)n2c(cc(n2)c3ccc(cc3)F)C(=O)N4CCN(CC4)c5ccc(cc5)[N+](=O)[O-]
Chemical ID:
5985229
Name [?]:
[5-(4-fluorophenyl)-2-(m-tolyl)pyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]-methanone
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)c3ccc(cc3)F)C(=O)N4CCN(CC4)c5ccc(cc5)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H24FN5O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:7.19283
Area:707.792
Solvation:-10.502
Coulombic:-44.7557
Bond Count [?]
All:40
Single:27
Double:13
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:485.51
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.76
LogP (Chemaxon):5.51

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