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Chemical ID: 6730227
Chemical ID:
6730227
Name [?]:
8-phenyl-7,9-diaza-5-azoniabicyclo[4.3.0]nona-2,4,7,10-tetraene
SMILES [?]:
c1ccc(cc1)c2[nH]c3ccc[nH+]c3n2
InChi [?]:
InChI=1/C12H9N3/c1-2-5-9(6-3-1)11-14-10-7-4-8-13-12(10)15-11/h1-8H,(H,13,14,15)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,11,3,5,10,12,4,9,7,14,13,8,15/E:(2,3)(5,6)/rA:15nCCCCCCCNCCCCN+CN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;d7s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10N3+ |
All Atoms: | 25 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.6029 |
Area: | 365.009 |
Solvation: | -32.7281 |
Coulombic: | -12.4584 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 196.228 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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