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Chemical ID: 6847154
Chemical ID:
6847154
Name [?]:
[2-(2-furyl)-6,8-dimethyl-4-oxo-chromen-3-yl] 2-oxochromene-3-carboxylate
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4cc5ccccc5oc4=O)C
InChi [?]:
InChI=1/C25H16O7/c1-13-10-14(2)21-16(11-13)20(26)23(22(31-21)19-8-5-9-29-19)32-25(28)17-12-15-6-3-4-7-18(15)30-24(17)27/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,25,26,15,24,27,14,16,3,7,22,2,4,23,6,21,28,13,8,5,11,10,30,19,9,31,20,17,29,12,18/rA:32nCCCCCCCCOCCOCCCCOOCOCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;d19;s19;d21;s22;s23;d24;s25;d26;d23s27;s28;s21s29;d30;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H16O7 |
All Atoms: | 48 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8995 |
Area: | 617.349 |
Solvation: | -4.53417 |
Coulombic: | -63.2354 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 428.39 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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