Chemical ID: 5506938

Cc1cc(cc(c1)OCC(=O)NN=Cc2cc(c(c(c2)OC)O)[N+](=O)[O-])C
Chemical ID:
5506938
Name [?]:
2-(3,5-dimethylphenoxy)-N-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methyleneamino]acetamide
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)NN=Cc2cc(c(c(c2)OC)O)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H19N3O6
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:0.055456
Area:586.477
Solvation:-14.6065
Coulombic:-56.3405
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:373.36
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:4.47
LogP (Chemaxon):3.37

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