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Chemical ID: 6847234
Chemical ID:
6847234
Name [?]:
3-[2-(4-chlorophenyl)-2-oxo-ethoxy]-2-(2-furyl)-6,8-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)c4ccc(cc4)Cl)C
InChi [?]:
InChI=1/C23H17ClO5/c1-13-10-14(2)21-17(11-13)20(26)23(22(29-21)19-4-3-9-27-19)28-12-18(25)15-5-7-16(24)8-6-15/h3-11H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,15,14,23,27,24,26,16,3,7,19,2,4,22,25,6,20,13,8,5,11,10,28,21,9,17,18,12/E:(5,6)(7,8)/rA:29nCCCCCCCCOCCOCCCCOOCCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17ClO5 |
All Atoms: | 46 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.60658 |
Area: | 615.236 |
Solvation: | -5.77433 |
Coulombic: | -41.2158 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 408.831 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.18 |
LogP (Chemaxon): | 4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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