Chemical ID: 4267108

CCNc1ccc(cc1[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])NCC
Chemical ID:
4267108
Name [?]:
[4-(4-ethylamino-3-nitro-benzoyl)piperazin-1-yl]-(4-ethylamino-3-nitro-phenyl)-methanone
SMILES [?]:
CCNc1ccc(cc1[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])NCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N6O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:2.85575
Area:714.619
Solvation:-15.0097
Coulombic:-80.2685
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:470.479
H-Bond Donors:2
H-Bond Acceptors:12
XLogP:3.68
LogP (Chemaxon):3.07

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