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Chemical ID: 7048358
Chemical ID:
7048358
Name [?]:
6-[(2,4-dichlorophenyl)methoxy]-2-[(4-ethoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
CCOc1ccc(cc1)C=C2C(=O)c3ccc(cc3O2)OCc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C24H18Cl2O4/c1-2-28-18-7-3-15(4-8-18)11-23-24(27)20-10-9-19(13-22(20)30-23)29-14-16-5-6-17(25)12-21(16)26/h3-13H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,24,25,5,9,16,15,10,27,18,22,7,23,26,4,17,14,28,19,11,12,30,29,13,3,21,20/E:(3,4)(7,8)/rA:30nCCOCCCCCCCCCOCCCCCCOOCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s22;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18Cl2O4 |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9049 |
Area: | 681.705 |
Solvation: | -4.13771 |
Coulombic: | -35.3931 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 441.303 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.84 |
LogP (Chemaxon): | 5.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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