Chemical ID: 6730225

c1ccc(cc1)c2[nH]c3ccc[nH+]c3[nH+]2
Chemical ID:
6730225
Name [?]:
8-phenyl-9-aza-5,7-diazoniabicyclo[4.3.0]nona-2,4,7,10-tetraene
SMILES [?]:
c1ccc(cc1)c2[nH]c3ccc[nH+]c3[nH+]2
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+2
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:C12H11N3+2
All Atoms:26
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-103.493
Area:365.027
Solvation:-112.618
Coulombic:58.5298
Bond Count [?]
All:17
Single:10
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:197.236
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.9
LogP (Chemaxon):2.99

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Descriptor Annotations

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