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Chemical ID: 6046330
Chemical ID:
6046330
Name [?]:
2,4-dimethoxy-3,5,7-triazabicyclo[4.3.0]nona-2,4,8,10-tetraene
SMILES [?]:
COc1c2cc[nH]c2nc(n1)OC
InChi [?]:
InChI=1/C8H9N3O2/c1-12-7-5-3-4-9-6(5)10-8(11-7)13-2/h3-4H,1-2H3,(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,13,5,6,4,8,3,10,7,9,11,2,12/rA:13nCOCCCCNCNCNOC/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9N3O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.61771 |
Area: | 329.866 |
Solvation: | -2.62894 |
Coulombic: | -41.0026 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.176 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.9 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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