Chemical ID: 5985583

Cn1cccc1c2cc(n(n2)c3ccc(cc3)F)C(=O)N4CCN(CC4)c5ccc(cc5)[N+](=O)[O-]
Chemical ID:
5985583
Name [?]:
[2-(4-fluorophenyl)-5-(1-methylpyrrol-2-yl)-pyrazol-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]-methanone
SMILES [?]:
Cn1cccc1c2cc(n(n2)c3ccc(cc3)F)C(=O)N4CCN(CC4)c5ccc(cc5)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H23FN6O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:6.39007
Area:668.416
Solvation:-10.3203
Coulombic:-49.7906
Bond Count [?]
All:39
Single:27
Double:12
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:474.487
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.44
LogP (Chemaxon):4.06

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