Chemical ID: 7039639

COc1ccc(cc1)C(=O)C=Cc2ccc(cc2)OC(=O)c3ccc4c(c3)OCO4
Chemical ID:
7039639
Name [?]:
[4-[3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]phenyl] benzo[1,3]dioxole-5-carboxylate
SMILES [?]:
COc1ccc(cc1)C(=O)C=Cc2ccc(cc2)OC(=O)c3ccc4c(c3)OCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H18O6
All Atoms:48
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.4582
Area:650.115
Solvation:-5.79465
Coulombic:-52.9613
Bond Count [?]
All:33
Single:21
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:402.396
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.02
LogP (Chemaxon):4.67

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