Chemical ID: 7125148

c1ccc(cc1)c2[nH+]c(c3n2cccc3)Br
Chemical ID:
7125148
Name [?]:
9-bromo-7-phenyl-6-aza-8-azoniabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
c1ccc(cc1)c2[nH+]c(c3n2cccc3)Br
InChi [?]:
InChI=1/C13H9BrN2/c14-12-11-8-4-5-9-16(11)13(15-12)10-6-2-1-3-7-10/h1-9H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,14,13,3,5,15,12,4,10,9,7,16,8,11/E:(2,3)(6,7)/rA:16nCCCCCCCN+CCNCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;d12;s13;s10d14;s9;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10BrN2+
All Atoms:26
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-20.9351
Area:389.543
Solvation:-30.6736
Coulombic:-4.66254
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:274.136
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.9
LogP (Chemaxon):4.4

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