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Chemical ID: 6847250
Chemical ID:
6847250
Name [?]:
2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxyacetamide
SMILES [?]:
Cc1cc(c2c(c1)oc(c(c2=O)OCC(=O)N)c3ccccc3Cl)C
InChi [?]:
InChI=1/C19H16ClNO4/c1-10-7-11(2)16-14(8-10)25-18(12-5-3-4-6-13(12)20)19(17(16)23)24-9-15(21)22/h3-8H,9H2,1-2H3,(H2,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,20,21,19,22,3,7,14,2,4,18,23,6,15,5,11,9,10,24,17,16,12,13,8/rA:25nCCCCCCCOCCCOOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s9;s18;d19;s20;d21;d18s22;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16ClNO4 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.92323 |
Area: | 532.402 |
Solvation: | -4.38681 |
Coulombic: | -51.8502 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 357.787 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.02 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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