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Chemical ID: 6660849
Chemical ID:
6660849
Name [?]:
2,4-bis[(2,4-dimethylphenyl)azo]benzene-1,3-diol
SMILES [?]:
Cc1ccc(c(c1)C)N=Nc2ccc(c(c2O)N=Nc3ccc(cc3C)C)O
InChi [?]:
InChI=1/C22H22N4O2/c1-13-5-7-17(15(3)11-13)23-25-19-9-10-20(27)21(22(19)28)26-24-18-8-6-14(2)12-16(18)4/h5-12,27-28H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,8,26,3,22,4,21,12,13,7,24,2,23,6,25,5,20,11,14,15,16,9,19,10,18,28,17/rA:28nCCCCCCCCNNCCCCCCONNCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s13;d14;d11s15;s16;s15;w18;s19;s20;d21;s22;d23;d20s24;s25;s23;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06445 |
Area: | 528.121 |
Solvation: | -4.13858 |
Coulombic: | -40.7278 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 374.436 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.77 |
LogP (Chemaxon): | 7.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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