Chemical ID: 4490679

C=CCn1c(nnc1SCC(=O)c2ccc(cc2)F)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4490679
Name [?]:
2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)-ethanone
SMILES [?]:
C=CCn1c(nnc1SCC(=O)c2ccc(cc2)F)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15FN4O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.85484
Area:607.21
Solvation:-9.32541
Coulombic:-37.722
Bond Count [?]
All:30
Single:19
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:398.412
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.66
LogP (Chemaxon):4.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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