Chemical ID: 4089699

c1cc(ccc1c2nn3c(nnc3s2)C(F)(F)F)[N+](=O)[O-]
Chemical ID:
4089699
Name [?]:
7-(4-nitrophenyl)-2-(trifluoromethyl)-6-thia-1,3,4,8-tetrazabicyclo[3.3.0]octa-2,4,7-triene
SMILES [?]:
c1cc(ccc1c2nn3c(nnc3s2)C(F)(F)F)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H4F3N5O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.10873
Area:457.382
Solvation:-7.32582
Coulombic:-43.5422
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.232
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.78
LogP (Chemaxon):2.88

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