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Chemical ID: 6847284
Chemical ID:
6847284
Name [?]:
2-[5,7-dimethyl-4-oxo-2-(p-tolyl)chromen-3-yl]oxyacetamide
SMILES [?]:
Cc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)C)C)OCC(=O)N
InChi [?]:
InChI=1/C20H19NO4/c1-11-4-6-14(7-5-11)19-20(24-10-16(21)22)18(23)17-13(3)8-12(2)9-15(17)25-19/h4-9H,10H2,1-3H3,(H2,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,3,7,4,6,14,16,22,2,15,13,5,17,23,12,10,8,9,25,24,11,21,18/E:(4,5)(6,7)/rA:25nCCCCCCCCCCOCCCCCCOCCOCCON/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s13;s9;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19NO4 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83126 |
Area: | 533.598 |
Solvation: | -4.5087 |
Coulombic: | -51.5523 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 337.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.84 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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