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Chemical ID: 6879778
Chemical ID:
6879778
Name [?]:
[2-(2-furyl)-6-methyl-4-oxo-chromen-3-yl] pyridine-4-carboxylate
SMILES [?]:
Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccncc4
InChi [?]:
InChI=1/C20H13NO5/c1-12-4-5-15-14(11-12)17(22)19(18(25-15)16-3-2-10-24-16)26-20(23)13-6-8-21-9-7-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,3,4,22,26,23,25,16,7,2,21,6,5,13,8,11,10,19,24,9,20,17,12,18/E:(6,7)(8,9)/rA:26nCCCCCCCCOCCOCCCCOOCOCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H13NO5 |
All Atoms: | 39 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54605 |
Area: | 530.033 |
Solvation: | -3.70478 |
Coulombic: | -49.0146 |
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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