Chemical ID: 4762952

Cn1c(nnc1SCc2cccc(c2)C(=O)OC)C(F)(F)F
Chemical ID:
4762952
Name [?]:
methyl 3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
SMILES [?]:
Cn1c(nnc1SCc2cccc(c2)C(=O)OC)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H12F3N3O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.98396
Area:505.092
Solvation:-2.64335
Coulombic:-53.8485
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:331.315
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.42
LogP (Chemaxon):2.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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