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Chemical ID: 5167991
Chemical ID:
5167991
Name [?]:
1-methoxy-2-(2-methoxy-5-methyl-phenyl)azo-4-methyl-benzene
SMILES [?]:
Cc1ccc(c(c1)N=Nc2cc(ccc2OC)C)OC
InChi [?]:
InChI=1/C16H18N2O2/c1-11-5-7-15(19-3)13(9-11)17-18-14-10-12(2)6-8-16(14)20-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,20,17,3,13,4,14,7,11,2,12,6,10,5,15,8,9,19,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:20nCCCCCCCNNCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s12;d13;d10s14;s15;s16;s12;s5;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.21721 |
Area: | 446.371 |
Solvation: | -4.94207 |
Coulombic: | -19.1924 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.326 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.84 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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