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Chemical ID: 6856977
Chemical ID:
6856977
Name [?]:
N-(2-fluorophenyl)-2-[2-(2-furyl)-7-methyl-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1ccc2c(c1)oc(c(c2=O)OCC(=O)Nc3ccccc3F)c4ccco4
InChi [?]:
InChI=1/C22H16FNO5/c1-13-8-9-14-18(11-13)29-21(17-7-4-10-27-17)22(20(14)26)28-12-19(25)24-16-6-3-2-5-15(16)23/h2-11H,12H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,21,20,27,22,19,26,3,4,28,7,14,2,5,23,18,25,6,15,11,9,10,24,17,16,12,29,13,8/rA:29nCCCCCCCOCCCOOCCONCCCCCCFCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s9;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16FNO5 |
All Atoms: | 45 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40598 |
Area: | 584.255 |
Solvation: | -6.20038 |
Coulombic: | -57.5875 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 393.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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