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Chemical ID: 6192084
Chemical ID:
6192084
Name [?]:
(4-phenoxyphenyl) 2-(2-naphthyloxy)acetate
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)OC(=O)COc3ccc4ccccc4c3
InChi [?]:
InChI=1/C24H18O4/c25-24(17-26-23-11-10-18-6-4-5-7-19(18)16-23)28-22-14-12-21(13-15-22)27-20-8-2-1-3-9-20/h1-16H,17H2
InChi Info:
AuxInfo=1/0/N:1,2,6,24,25,23,26,3,5,21,20,9,13,10,12,28,17,22,27,4,8,11,19,15,16,18,7,14/E:(2,3)(8,9)(12,13)(14,15)/rA:28nCCCCCCOCCCCCCOCOCOCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4986 |
Area: | 601.945 |
Solvation: | -4.55001 |
Coulombic: | -37.0497 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.397 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.68 |
LogP (Chemaxon): | 5.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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