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Chemical ID: 7048318
Chemical ID:
7048318
Name [?]:
6-[(4-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methylene]benzofuran-3-one
SMILES [?]:
c1cc(ccc1COc2ccc3c(c2)OC(=Cc4ccc(cc4)Cl)C3=O)Cl
InChi [?]:
InChI=1/C22H14Cl2O3/c23-16-5-1-14(2-6-16)11-21-22(25)19-10-9-18(12-20(19)27-21)26-13-15-3-7-17(24)8-4-15/h1-12H,13H2
InChi Info:
AuxInfo=1/0/N:19,23,1,5,20,22,2,4,10,11,17,14,7,18,6,21,3,9,12,13,16,25,24,27,26,8,15/E:(1,2)(3,4)(5,6)(7,8)/rA:27nCCCCCCCOCCCCCCOCCCCCCCCClCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;d25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H14Cl2O3 |
All Atoms: | 41 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1669 |
Area: | 621.241 |
Solvation: | -3.36411 |
Coulombic: | -28.5777 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 397.25 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.5 |
LogP (Chemaxon): | 5.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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