Chemical ID: 4776089

CSc1ccc(cc1)NC(=O)C=CC(=O)O
Chemical ID:
4776089
Name [?]:
4-(4-methylsulfanylphenyl)amino-4-oxo-but-2-enoic acid
SMILES [?]:
CSc1ccc(cc1)NC(=O)C=CC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H11NO3S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.56985
Area:413.435
Solvation:-3.76603
Coulombic:-46.8982
Bond Count [?]
All:16
Single:10
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:237.276
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.68
LogP (Chemaxon):2.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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