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Chemical ID: 6847239
Chemical ID:
6847239
Name [?]:
2-(2-furyl)-6,8-dimethyl-3-[2-oxo-2-(2-thienyl)ethoxy]-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)c4cccs4)C
InChi [?]:
InChI=1/C21H16O5S/c1-12-9-13(2)19-14(10-12)18(23)21(20(26-19)16-5-3-7-24-16)25-11-15(22)17-6-4-8-27-17/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,15,24,14,23,16,25,3,7,19,2,4,6,20,13,22,8,5,11,10,21,9,17,18,12,26/rA:27nCCCCCCCCOCCOCCCCOOCCOCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;d22;s23;d24;s22s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16O5S |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00193 |
Area: | 575.276 |
Solvation: | -5.37998 |
Coulombic: | -41.1401 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 380.415 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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