Chemical ID: 4196355

C=CCn1c(nnc1SCc2ccccc2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4196355
Name [?]:
4-allyl-3-benzylsulfanyl-5-(4-nitrophenyl)-1,2,4-triazole
SMILES [?]:
C=CCn1c(nnc1SCc2ccccc2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.07748
Area:568.067
Solvation:-7.1242
Coulombic:-28.4801
Bond Count [?]
All:27
Single:17
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:352.411
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.89
LogP (Chemaxon):4.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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