Chemical ID: 3854026

COc1ccc(cc1)n2c(nnc2S)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
3854026
Name [?]:
4-(4-methoxyphenyl)-5-(3-nitrophenyl)-1,2,4-triazole-3-thiol
SMILES [?]:
COc1ccc(cc1)n2c(nnc2S)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H12N4O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.14611
Area:511.049
Solvation:-8.63012
Coulombic:-32.3699
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:328.347
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.94
LogP (Chemaxon):3.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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