Chemical ID: 6856871

Cc1ccc2c(c1)oc(c(c2=O)OC(=O)c3ccncc3)c4ccco4
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

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Descriptor Annotations

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