Chemical ID: 4853672

COc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3cc(cc(c3)Cl)Cl
Chemical ID:
4853672
Name [?]:
3-(3,5-dichlorophenyl)-5-[(4-hydroxy-3-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1cc(ccc1O)C=C2C(=O)N(C(=S)S2)c3cc(cc(c3)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H11Cl2NO3S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6024
Area:594.57
Solvation:-4.26191
Coulombic:-42.5236
Bond Count [?]
All:27
Single:18
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:412.312
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.15
LogP (Chemaxon):4.99

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Experimental Annotations

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Descriptor Annotations

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