ChemDB: Chemical Search
Download
Chemical ID: 6682040
Chemical ID:
6682040
Name [?]:
1-[4-(2,5-dimethylphenyl)azo-2,5-dimethyl-phenyl]azonaphthalen-2-ol
SMILES [?]:
Cc1ccc(c(c1)N=Nc2cc(c(cc2C)N=Nc3c4ccccc4ccc3O)C)C
InChi [?]:
InChI=1/C26H24N4O/c1-16-9-10-17(2)22(13-16)27-28-23-14-19(4)24(15-18(23)3)29-30-26-21-8-6-5-7-20(21)11-12-25(26)31/h5-15,31H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,16,30,23,22,24,21,3,4,26,27,7,11,14,2,5,15,12,25,20,6,10,13,28,19,8,9,17,18,29/rA:31nCCCCCCCNNCCCCCCCNNCCCCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s12;d13;d10s14;s15;s13;w17;s18;s19;s20;d21;s22;d23;d20s24;s25;d26;d19s27;s28;s12;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N4O |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6798 |
Area: | 585.087 |
Solvation: | -2.94742 |
Coulombic: | -26.8172 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 408.495 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 8.23 |
LogP (Chemaxon): | 9.24 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|