Chemical ID: 6331954

c1c(cc(cc1S(=O)(=O)N2CCSCC2)Br)C(=O)O
Chemical ID:
6331954
Name [?]:
3-bromo-5-thiomorpholinosulfonyl-benzoic acid
SMILES [?]:
c1c(cc(cc1S(=O)(=O)N2CCSCC2)Br)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H12BrNO4S2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.01241
Area:475.281
Solvation:-2.86962
Coulombic:-34.7455
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.253
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.28
LogP (Chemaxon):1.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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