Chemical ID: 4296765

COc1cc(ccc1OC(=O)c2ccc(cc2)Br)C=NNC(=O)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4296765
Name [?]:
[2-methoxy-4-[(4-nitrobenzoyl)aminoiminomethyl]phenyl] 4-bromobenzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccc(cc2)Br)C=NNC(=O)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H16BrN3O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:6.00045
Area:679.507
Solvation:-10.9872
Coulombic:-58.3035
Bond Count [?]
All:34
Single:21
Double:13
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:498.283
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:5.71
LogP (Chemaxon):4.97

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