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Chemical ID: 5689020
Chemical ID:
5689020
Name [?]:
5-bromo-3-methyl-N-(p-tolyl)benzofuran-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2c(c3cc(ccc3o2)Br)C
InChi [?]:
InChI=1/C17H14BrNO2/c1-10-3-6-13(7-4-10)19-17(20)16-11(2)14-9-12(18)5-8-15(14)21-16/h3-9H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,3,7,16,4,6,17,14,2,12,15,5,13,18,11,9,20,8,10,19/E:(3,4)(6,7)/rA:21nCCCCCCCNCOCCCCCCCCOBrC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s12;s13;d14;s15;d16;d13s17;s11s18;s15;s12;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14BrNO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4235 |
Area: | 489.22 |
Solvation: | -1.80704 |
Coulombic: | -32.234 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 344.203 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.43 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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