Chemical ID: 4125104

c1cc2c(cc1C=C3C(=O)N(C(=S)S3)CCCC(=O)O)OCO2
Chemical ID:
4125104
Name [?]:
4-[5-(benzo[1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid
SMILES [?]:
c1cc2c(cc1C=C3C(=O)N(C(=S)S3)CCCC(=O)O)OCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H13NO5S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.24542
Area:539.216
Solvation:-4.23499
Coulombic:-60.3295
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:351.399
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.48
LogP (Chemaxon):2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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