Chemical ID: 5177852

COc1ccc(cc1)CCNc2cc(c(cc2[N+](=O)[O-])OC)OC
Chemical ID:
5177852
Name [?]:
4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitro-aniline
SMILES [?]:
COc1ccc(cc1)CCNc2cc(c(cc2[N+](=O)[O-])OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H20N2O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:2.7527
Area:551.385
Solvation:-11.0319
Coulombic:-44.338
Bond Count [?]
All:25
Single:18
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:332.351
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.43
LogP (Chemaxon):3.49

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