Chemical ID: 4690138

c1cc2c(cc1C(CC(=O)O)N3CCS(=O)(=O)CC3)OCO2
Chemical ID:
4690138
Name [?]:
3-benzo[1,3]dioxol-5-yl-3-(1,1-dioxo-1,4-thiazinan-4-yl)-propanoic acid
SMILES [?]:
c1cc2c(cc1C(CC(=O)O)N3CCS(=O)(=O)CC3)OCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H17NO6S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:6.29585
Area:484.699
Solvation:-5.82163
Coulombic:-47.8192
Bond Count [?]
All:24
Single:18
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:327.354
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.71
LogP (Chemaxon):-1.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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