Chemical ID: 4489759

C=CCn1c(nnc1SCc2c(cccc2Cl)Cl)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4489759
Name [?]:
4-allyl-3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(3-nitrophenyl)-1,2,4-triazole
SMILES [?]:
C=CCn1c(nnc1SCc2c(cccc2Cl)Cl)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H14Cl2N4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.13839
Area:615.322
Solvation:-7.24466
Coulombic:-28.2984
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:421.301
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.13
LogP (Chemaxon):5.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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