Chemical ID: 6730227

c1ccc(cc1)c2[nH]c3ccc[nH+]c3n2
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

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