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Chemical ID: 6846957
Chemical ID:
6846957
Name [?]:
[6,8-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl] pyridine-4-carboxylate
SMILES [?]:
Cc1ccc(cc1)c2c(c(=O)c3cc(cc(c3o2)C)C)OC(=O)c4ccncc4
InChi [?]:
InChI=1/C24H19NO4/c1-14-4-6-17(7-5-14)22-23(29-24(27)18-8-10-25-11-9-18)20(26)19-13-15(2)12-16(3)21(19)28-22/h4-13H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,19,3,7,4,6,25,29,26,28,15,13,2,14,16,5,24,12,10,17,8,9,22,27,11,23,18,21/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCCCCCCCCCCOCCCCCCOCCOCOCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s16;s14;s9;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19NO4 |
All Atoms: | 48 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7386 |
Area: | 594.164 |
Solvation: | -3.11546 |
Coulombic: | -43.1834 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 385.412 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.31 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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