Chemical ID: 6847234

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)c4ccc(cc4)Cl)C
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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