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Chemical ID: 5845263
Chemical ID:
5845263
Name [?]:
1-[[2-(4-methylphenoxy)-1-naphthyl]azo]naphthalen-2-ol
SMILES [?]:
Cc1ccc(cc1)Oc2ccc3ccccc3c2N=Nc4c5ccccc5ccc4O
InChi [?]:
InChI=1/C27H20N2O2/c1-18-10-14-21(15-11-18)31-25-17-13-20-7-3-5-9-23(20)27(25)29-28-26-22-8-4-2-6-19(22)12-16-24(26)30/h2-17,30H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,14,24,15,26,13,23,16,3,7,28,11,4,6,29,10,2,27,12,5,22,17,30,9,21,18,20,19,31,8/E:(10,11)(14,15)/rA:31nCCCCCCCOCCCCCCCCCCNNCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s18;w19;s20;s21;s22;d23;s24;d25;d22s26;s27;d28;d21s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H20N2O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0662 |
Area: | 564.087 |
Solvation: | -3.03596 |
Coulombic: | -32.7031 |
Bond Count [?]
All: | 35 |
Single: | 21 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 404.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 8.18 |
LogP (Chemaxon): | 7.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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