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Chemical ID: 6896838
Chemical ID:
6896838
Name [?]:
N-(3-chloro-4-methyl-phenyl)-2-[2-(2-furyl)-4-oxo-chromen-3-yl]oxy-acetamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)COc2c(=O)c3ccccc3oc2c4ccco4
InChi [?]:
InChI=1/C22H16ClNO5/c1-13-8-9-14(11-16(13)23)24-19(25)12-28-22-20(26)15-5-2-3-6-17(15)29-21(22)18-7-4-10-27-18/h2-11H,12H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,19,20,27,18,21,26,3,4,28,6,12,2,5,17,7,22,25,10,15,24,14,8,9,11,16,29,13,23/rA:29nCCCCCCCClNCOCOCCOCCCCCCOCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16ClNO5 |
All Atoms: | 45 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.50958 |
Area: | 611.24 |
Solvation: | -5.77142 |
Coulombic: | -53.5158 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 409.819 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.16 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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