Chemical ID: 4120764

c1csc2c1nc(c(c2)C(=O)O)C(F)(F)F
Chemical ID:
4120764
Name [?]:
4-(trifluoromethyl)-9-thia-5-azabicyclo[4.3.0]nona-1,3,5,7-tetraene-3-carboxylic acid
SMILES [?]:
c1csc2c1nc(c(c2)C(=O)O)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H4F3NO2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.14364
Area:356.467
Solvation:-2.76805
Coulombic:-51.0715
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:247.195
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.26
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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