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Chemical ID: 7048346
Chemical ID:
7048346
Name [?]:
6-[(2,4-dichlorophenyl)methoxy]-2-(p-tolylmethylene)benzofuran-3-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C23H16Cl2O3/c1-14-2-4-15(5-3-14)10-22-23(26)19-9-8-18(12-21(19)28-22)27-13-16-6-7-17(24)11-20(16)25/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,22,23,14,13,8,25,16,20,2,5,21,24,15,12,26,17,9,10,28,27,11,19,18/E:(2,3)(4,5)/rA:28nCCCCCCCCCCOCCCCCCOOCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;s15;s19;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H16Cl2O3 |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8044 |
Area: | 630.438 |
Solvation: | -2.95656 |
Coulombic: | -28.6258 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 411.277 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.94 |
LogP (Chemaxon): | 6.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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