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Chemical ID: 7467825
Chemical ID:
7467825
Name [?]:
2,4-ditert-butyl-6-(2,4,6-trimethylphenyl)azo-phenol
SMILES [?]:
Cc1cc(c(c(c1)C)N=Nc2cc(cc(c2O)C(C)(C)C)C(C)(C)C)C
InChi [?]:
InChI=1/C23H32N2O/c1-14-10-15(2)20(16(3)11-14)25-24-19-13-17(22(4,5)6)12-18(21(19)26)23(7,8)9/h10-13,26H,1-9H3
InChi Info:
AuxInfo=1/0/N:1,8,26,23,24,25,19,20,21,7,3,14,12,2,6,4,13,15,11,5,16,22,18,10,9,17/E:(2,3)(4,5,6)(7,8,9)(10,11)(15,16)/rA:26nCCCCCCCCNNCCCCCCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s13;d14;d11s15;s16;s15;s18;s18;s18;s13;s22;s22;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N2O |
All Atoms: | 58 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7329 |
Area: | 583.22 |
Solvation: | -1.84756 |
Coulombic: | -23.7793 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.513 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 8.05 |
LogP (Chemaxon): | 8.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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