Chemical ID: 6660849

Cc1ccc(c(c1)C)N=Nc2ccc(c(c2O)N=Nc3ccc(cc3C)C)O
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

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