Chemical ID: 6879778

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccncc4
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

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Descriptor Annotations

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