Chemical ID: 4784078

C#CCSc1[nH]c(nn1)c2ccc(cc2)C(F)(F)F
Chemical ID:
4784078
Name [?]:
3-prop-2-ynylsulfanyl-5-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
SMILES [?]:
C#CCSc1[nH]c(nn1)c2ccc(cc2)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H8F3N3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.12359
Area:457.576
Solvation:-2.31581
Coulombic:-38.7983
Bond Count [?]
All:20
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:283.273
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.68
LogP (Chemaxon):3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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