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Chemical ID: 6122756
Chemical ID:
6122756
Name [?]:
(2-oxo-7-thia-3,4,5,8,9-pentazabicyclo[4.3.0]nona-4,8,10-trien-3-yl)potassium
SMILES [?]:
c12c(nnn(c1=O)[K])snn2
InChi [?]:
InChI=1/C3HN5OS.K/c9-2-1-3(6-7-5-2)10-8-4-1;/h(H,5,6,8,9);/q;+1/p-1
InChi Info:
AuxInfo=1/6/N:1,6,2,11,5,3,4,10,7,9;8/rA:11nCCNNNCOKSNN/rB:d1;s2;d3;s4;s1s5;d6;s5;s2;s9;s1d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C3KN5OS |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 30.0043 |
Area: | 331.701 |
Solvation: | 21.7118 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 193.23 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 0.67 |
LogP (Chemaxon): | -0.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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