Chemical ID: 4120762

CS(=O)(=O)c1ccc2ccn(c2c1)OCC3CO3
Chemical ID:
4120762
Name [?]:
6-methylsulfonyl-1-(oxiran-2-ylmethoxy)indole
SMILES [?]:
CS(=O)(=O)c1ccc2ccn(c2c1)OCC3CO3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H13NO4S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:4.9838
Area:448.613
Solvation:-6.23152
Coulombic:-14.2482
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.302
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.85
LogP (Chemaxon):0.94

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue