Chemical ID: 4885899

c1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccc(cc4)F
Chemical ID:
4885899
Name [?]:
9-(4-fluorophenyl)-3-phenyl-5-thia-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,6,8-triene
SMILES [?]:
c1ccc(cc1)C2=Nn3c(nnc3SC2)c4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H11FN4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.4666
Area:474.125
Solvation:-2.38653
Coulombic:-17.8557
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:310.35
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.18
LogP (Chemaxon):3.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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