Chemical ID: 4455584

C=CCn1c(nnc1SCC(=O)c2ccc-3c(c2)Cc4c3cccc4)c5ccc(cc5)[N+](=O)[O-]
Chemical ID:
4455584
Name [?]:
2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(9H-fluoren-2-yl)ethanone
SMILES [?]:
C=CCn1c(nnc1SCC(=O)c2ccc-3c(c2)Cc4c3cccc4)c5ccc(cc5)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H20N4O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:9.02346
Area:706.953
Solvation:-8.65036
Coulombic:-35.7788
Bond Count [?]
All:38
Single:24
Double:14
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:468.528
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:7.38
LogP (Chemaxon):5.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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