Chemical ID: 5817711

COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)OCC(=O)O)S2
Chemical ID:
5817711
Name [?]:
2-[4-[[2-(4-methoxyphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)OCC(=O)O)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16N2O5S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.11278
Area:601.218
Solvation:-5.91768
Coulombic:-69.1913
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:384.407
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.3
LogP (Chemaxon):1.75

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