Chemical ID: 5773112

CC1(OC(=O)C(=Cc2ccc(o2)c3ccc(cc3C(=O)O)Br)C(=O)O1)C
Chemical ID:
5773112
Name [?]:
5-bromo-2-[5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-furyl]-benzoic acid
SMILES [?]:
CC1(OC(=O)C(=Cc2ccc(o2)c3ccc(cc3C(=O)O)Br)C(=O)O1)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H13BrO7
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.40934
Area:532.848
Solvation:-4.91186
Coulombic:-69.7288
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:421.196
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.95
LogP (Chemaxon):3.25

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