Chemical ID: 5988572

Cc1ccc(cc1[N+](=O)[O-])C(=O)N2CCCC(C2)c3nc(no3)c4ccccc4
Chemical ID:
5988572
Name [?]:
(4-methyl-3-nitro-phenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1[N+](=O)[O-])C(=O)N2CCCC(C2)c3nc(no3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20N4O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:7.32605
Area:612.503
Solvation:-7.98652
Coulombic:-42.0405
Bond Count [?]
All:32
Single:22
Double:10
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.408
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.95
LogP (Chemaxon):4.04

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