Chemical ID: 6706524

Cc1ccn2cc([nH+]c2c1)c3ccccc3
Chemical ID:
6706524
Name [?]:
4-methyl-8-phenyl-1-aza-7-azoniabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1ccn2cc([nH+]c2c1)c3ccccc3
InChi [?]:
InChI=1/C14H12N2/c1-11-7-8-16-10-13(15-14(16)9-11)12-5-3-2-4-6-12/h2-10H,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,3,4,10,6,2,11,7,9,8,5/E:(3,4)(5,6)/rA:16nCCCCNCCN+CCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;s5d8;d2s9;s7;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N2+
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-20.5547
Area:386.067
Solvation:-30.2064
Coulombic:-4.16235
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:209.266
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.45
LogP (Chemaxon):3.89

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Descriptor Annotations

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