Chemical ID: 4425158

C=CCn1c(nnc1SCCc2ccccc2)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4425158
Name [?]:
4-allyl-3-(3-nitrophenyl)-5-phenethylsulfanyl-1,2,4-triazole
SMILES [?]:
C=CCn1c(nnc1SCCc2ccccc2)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18N4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.57509
Area:595.269
Solvation:-7.30663
Coulombic:-28.2552
Bond Count [?]
All:28
Single:18
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.438
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.24
LogP (Chemaxon):5.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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