Chemical ID: 5510468

CCOc1cc(ccc1OC(=O)c2ccc(cc2)Br)C=NNC(=O)c3ccccc3O
Chemical ID:
5510468
Name [?]:
[2-ethoxy-4-[(2-hydroxybenzoyl)aminoiminomethyl]phenyl] 4-bromobenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2)Br)C=NNC(=O)c3ccccc3O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H19BrN2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.4139
Area:665.66
Solvation:-6.22758
Coulombic:-63.4271
Bond Count [?]
All:33
Single:21
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:483.311
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:6.39
LogP (Chemaxon):5.72

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