Chemical ID: 6676019

C[N+](C)(C)c1ccc2cccc(c2c1)N=Nc3ccc(c4c3cccc4)O
Chemical ID:
6676019
Name [?]:
[8-[(4-hydroxy-1-naphthyl)azo]-2-naphthyl]-trimethyl-ammonium
SMILES [?]:
C[N+](C)(C)c1ccc2cccc(c2c1)N=Nc3ccc(c4c3cccc4)O
InChi [?]:
InChI=1/C23H21N3O/c1-26(2,3)17-12-11-16-7-6-10-21(20(16)15-17)24-25-22-13-14-23(27)19-9-5-4-8-18(19)22/h4-15H,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,4,24,25,10,9,23,26,11,7,6,18,19,14,8,5,22,21,13,12,17,20,15,16,2,27/E:(1,2,3)/CRV:26+1,27-1/rA:27nCN+CCCCCCCCCCCCNNCCCCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s7;s8;d9;s10;d11;d8s12;d5s13;s12;w15;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N3O+
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-16.3591
Area:544.859
Solvation:-29.9806
Coulombic:1.94981
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:356.44
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.6
LogP (Chemaxon):1.79

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