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Chemical ID: 6693138
Chemical ID:
6693138
Name [?]:
4-(4-ethoxyphenyl)azonaphthalen-1-ol
SMILES [?]:
CCOc1ccc(cc1)N=Nc2ccc(c3c2cccc3)O
InChi [?]:
InChI=1/C18H16N2O2/c1-2-22-14-9-7-13(8-10-14)19-20-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,20,18,21,6,8,5,9,13,14,7,4,17,16,12,15,10,11,22,3/E:(7,8)(9,10)/rA:22nCCOCCCCCCNNCCCCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.54586 |
Area: | 478.751 |
Solvation: | -3.42291 |
Coulombic: | -29.0549 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 292.332 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.34 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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