Chemical ID: 5761243

c1ccc(cc1)CN2CCN(CC2)c3ccc(cc3[N+](=O)[O-])C=O
Chemical ID:
5761243
Name [?]:
4-(4-benzylpiperazin-1-yl)-3-nitro-benzaldehyde
SMILES [?]:
c1ccc(cc1)CN2CCN(CC2)c3ccc(cc3[N+](=O)[O-])C=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H19N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.14352
Area:527.289
Solvation:-10.0387
Coulombic:-29.3743
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.362
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.05
LogP (Chemaxon):3.52

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