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Chemical ID: 5764265
Chemical ID:
5764265
Name [?]:
N-(2,6-dibromo-4-methyl-phenyl)-2,2,3,3-tetramethyl-cyclopropane-1-carboxamide
SMILES [?]:
Cc1cc(c(c(c1)Br)NC(=O)C2C(C2(C)C)(C)C)Br
InChi [?]:
InChI=1/C15H19Br2NO/c1-8-6-9(16)11(10(17)7-8)18-13(19)12-14(2,3)15(12,4)5/h6-7,12H,1-5H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,15,16,17,18,3,7,2,4,6,5,12,10,14,13,19,8,9,11/E:(2,3,4,5)(6,7)(9,10)(14,15)(16,17)/rA:19nCCCCCCCBrNCOCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s12s13;s14;s14;s13;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19Br2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.94595 |
Area: | 459.935 |
Solvation: | -1.55244 |
Coulombic: | -22.084 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 389.125 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.74 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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