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Chemical ID: 6902666
Chemical ID:
6902666
Name [?]:
[6-ethyl-2-(2-furyl)-4-oxo-chromen-3-yl] pyridine-4-carboxylate
SMILES [?]:
CCc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccncc4
InChi [?]:
InChI=1/C21H15NO5/c1-2-13-5-6-16-15(12-13)18(23)20(19(26-16)17-4-3-11-25-17)27-21(24)14-7-9-22-10-8-14/h3-12H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,4,5,23,27,24,26,17,8,3,22,7,6,14,9,12,11,20,25,10,21,18,13,19/E:(7,8)(9,10)/rA:27nCCCCCCCCCOCCOCCCCOOCOCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;d11;s6s12;s12;d14;s15;d16;s14s17;s11;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15NO5 |
All Atoms: | 42 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2081 |
Area: | 555.841 |
Solvation: | -3.68796 |
Coulombic: | -49.3704 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.81 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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