Chemical ID: 5842734

COc1cc(ccc1OCC(=O)O)C=C2C(=O)NN(C2=O)c3ccc(cc3)C(=O)OC
Chemical ID:
5842734
Name [?]:
2-[2-methoxy-4-[[1-(4-methoxycarbonylphenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
COc1cc(ccc1OCC(=O)O)C=C2C(=O)NN(C2=O)c3ccc(cc3)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H18N2O8
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.1178
Area:655.378
Solvation:-8.26664
Coulombic:-92.5813
Bond Count [?]
All:33
Single:22
Double:11
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:426.376
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:1.53
LogP (Chemaxon):1.1

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