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Chemical ID: 6678569
Chemical ID:
6678569
Name [?]:
1-ethoxy-4-phenylazo-naphthalene
SMILES [?]:
CCOc1ccc(c2c1cccc2)N=Nc3ccccc3
InChi [?]:
InChI=1/C18H16N2O/c1-2-21-18-13-12-17(15-10-6-7-11-16(15)18)20-19-14-8-4-3-5-9-14/h3-13H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,19,18,20,12,11,17,21,13,10,6,5,16,8,9,7,4,15,14,3/E:(4,5)(8,9)/rA:21nCCOCCCCCCCCCCNNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s7;w14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91325 |
Area: | 458.183 |
Solvation: | -2.54133 |
Coulombic: | -14.3333 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.74 |
LogP (Chemaxon): | 5.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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