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Chemical ID: 6856871
Chemical ID:
6856871
Name [?]:
[2-(2-furyl)-7-methyl-4-oxo-chromen-3-yl] pyridine-4-carboxylate
SMILES [?]:
Cc1ccc2c(c1)oc(c(c2=O)OC(=O)c3ccncc3)c4ccco4
InChi [?]:
InChI=1/C20H13NO5/c1-12-4-5-14-16(11-12)25-18(15-3-2-10-24-15)19(17(14)22)26-20(23)13-6-8-21-9-7-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,3,4,17,21,18,20,25,7,2,16,5,22,6,11,9,10,14,19,12,15,26,8,13/E:(6,7)(8,9)/rA:26nCCCCCCCOCCCOOCOCCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s9;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13NO5 |
All Atoms: | 39 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.53108 |
Area: | 530.137 |
Solvation: | -3.72235 |
Coulombic: | -49.0402 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 347.321 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.34 |
LogP (Chemaxon): | 2.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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