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Chemical ID: 6505049
Chemical ID:
6505049
Name [?]:
N-(3-bromo-4-methyl-phenyl)-5-methyl-furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1Br)NC(=O)c2ccc(o2)C
InChi [?]:
InChI=1/C13H12BrNO2/c1-8-3-5-10(7-11(8)14)15-13(16)12-6-4-9(2)17-12/h3-7H,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,3,14,4,13,6,2,15,5,7,12,10,8,9,11,16/rA:17nCCCCCCCBrNCOCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12BrNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9201 |
Area: | 431.692 |
Solvation: | -1.87219 |
Coulombic: | -30.5181 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 294.144 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.95 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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