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Chemical ID: 4989907
Chemical ID:
4989907
Name [?]:
2-[2-[2-(2-naphthyloxy)ethoxy]ethoxy]naphthalene
SMILES [?]:
c1ccc2cc(ccc2c1)OCCOCCOc3ccc4ccccc4c3
InChi [?]:
InChI=1/C24H22O3/c1-3-7-21-17-23(11-9-19(21)5-1)26-15-13-25-14-16-27-24-12-10-20-6-2-4-8-22(20)18-24/h1-12,17-18H,13-16H2
InChi Info:
AuxInfo=1/0/N:1,23,2,24,10,22,3,25,8,20,7,19,13,15,12,16,5,27,9,21,4,26,6,18,14,11,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(26,27)/rA:27nCCCCCCCCCCOCCOCCOCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;s13;s14;s15;s16;s17;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82418 |
Area: | 603.897 |
Solvation: | -6.27325 |
Coulombic: | -25.3697 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.43 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.01 |
LogP (Chemaxon): | 5.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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