Chemical ID: 6714417

c1ccn2cc([nH+]c2c1)c3ccc(cc3)Cl
Chemical ID:
6714417
Name [?]:
8-(4-chlorophenyl)-1-aza-7-azoniabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1ccn2cc([nH+]c2c1)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C13H9ClN2/c14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-9H/p+1
InChi Info:
AuxInfo=1/1/N:1,2,9,11,15,12,14,3,5,10,13,6,8,16,7,4/E:(4,5)(6,7)/rA:16nCCCNCCN+CCCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;s4d7;d1s8;s6;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10ClN2+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-21.4209
Area:402.603
Solvation:-31.486
Coulombic:-2.93972
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:229.685
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.72
LogP (Chemaxon):3.94

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