Chemical ID: 6902666

CCc1ccc2c(c1)c(=O)c(c(o2)c3ccco3)OC(=O)c4ccncc4
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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