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Chemical ID: 7048298
Chemical ID:
7048298
Name [?]:
6-[(2-chlorophenyl)methoxy]-2-[(2-ethoxyphenyl)methylene]benzofuran-3-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)c3ccc(cc3O2)OCc4ccccc4Cl
InChi [?]:
InChI=1/C24H19ClO4/c1-2-27-21-10-6-4-7-16(21)13-23-24(26)19-12-11-18(14-22(19)29-23)28-15-17-8-3-5-9-20(17)25/h3-14H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,25,7,26,6,8,24,27,5,16,15,10,18,22,9,23,17,14,28,4,19,11,12,29,13,3,21,20/rA:29nCCOCCCCCCCCCOCCCCCCOOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19ClO4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1012 |
Area: | 639.967 |
Solvation: | -3.89794 |
Coulombic: | -36.003 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 406.858 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.22 |
LogP (Chemaxon): | 5.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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