Chemical ID: 4705833

c1ccc(cc1)S(=O)(=O)c2cnn3c2nc(cc3C(F)(F)F)C(F)(F)F
Chemical ID:
4705833
Name [?]:
7-phenylsulfonyl-2,4-bis(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1ccc(cc1)S(=O)(=O)c2cnn3c2nc(cc3C(F)(F)F)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H7F6N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.98754
Area:486.975
Solvation:-4.18684
Coulombic:-52.7092
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.281
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.98
LogP (Chemaxon):3.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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