Chemical ID: 4319072

CCOc1cc(cc(c1O)Cl)C=C2C(=O)NC(=N)S2
Chemical ID:
4319072
Name [?]:
5-[(3-chloro-5-ethoxy-4-hydroxy-phenyl)methylene]-2-imino-thiazolidin-4-one
SMILES [?]:
CCOc1cc(cc(c1O)Cl)C=C2C(=O)NC(=N)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H11ClN2O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.30253
Area:468.633
Solvation:-4.4133
Coulombic:-56.9167
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:298.746
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.39
LogP (Chemaxon):2.32

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Experimental Annotations

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Descriptor Annotations

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