Chemical ID: 5138616

CCn1c(nnc1SCC#N)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
5138616
Name [?]:
2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
SMILES [?]:
CCn1c(nnc1SCC#N)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H11N5O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.62586
Area:489.635
Solvation:-7.615
Coulombic:-26.5488
Bond Count [?]
All:21
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:289.314
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.48
LogP (Chemaxon):2.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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