Chemical ID: 5549850

Cn1c(nnc1SCc2ccc(cc2)Cl)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
5549850
Name [?]:
3-[(4-chlorophenyl)methylsulfanyl]-4-methyl-5-(3-nitrophenyl)-1,2,4-triazole
SMILES [?]:
Cn1c(nnc1SCc2ccc(cc2)Cl)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13ClN4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.83668
Area:567.555
Solvation:-7.35219
Coulombic:-26.2438
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.819
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.89
LogP (Chemaxon):4.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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