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Chemical ID: 6383324
Chemical ID:
6383324
Name [?]:
3-chloro-9-(1,1,2,2,2-pentafluoroethyl)-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1cc(nn2c1nnc2C(C(F)(F)F)(F)F)Cl
InChi [?]:
InChI=1/C7H2ClF5N4/c8-3-1-2-4-14-15-5(17(4)16-3)6(9,10)7(11,12)13/h1-2H
InChi Info:
AuxInfo=1/0/N:2,1,3,6,9,10,11,17,15,16,12,13,14,7,8,4,5/E:(9,10)(11,12,13)/rA:17nCCCNNCNNCCCFFFFFCl/rB:d1;s2;d3;s4;s1s5;d6;s7;s5d8;s9;s10;s11;s11;s11;s10;s10;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H2ClF5N4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.83988 |
Area: | 366.869 |
Solvation: | -2.33185 |
Coulombic: | -41.6561 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.562 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.6 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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