Chemical ID: 3957405

Cn1c2ccsc2cc1C(=O)O
Chemical ID:
3957405
Name [?]:
8-methyl-4-thia-8-azabicyclo[3.3.0]octa-2,6,9-triene-7-carboxylic acid
SMILES [?]:
Cn1c2ccsc2cc1C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H7NO2S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.58277
Area:326.279
Solvation:-1.57421
Coulombic:-35.0177
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:181.213
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.46
LogP (Chemaxon):2.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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