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Chemical ID: 6676019
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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