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Chemical ID: 6525071
Chemical ID:
6525071
Name [?]:
N-(2,6-dichloro-3-methyl-phenyl)-2,2-dimethyl-propanamide
SMILES [?]:
Cc1ccc(c(c1Cl)NC(=O)C(C)(C)C)Cl
InChi [?]:
InChI=1/C12H15Cl2NO/c1-7-5-6-8(13)10(9(7)14)15-11(16)12(2,3)4/h5-6H,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,13,14,15,3,4,2,5,7,6,10,12,16,8,9,11/E:(2,3,4)/rA:16nCCCCCCCClNCOCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s12;s12;s5;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15Cl2NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74333 |
Area: | 415.787 |
Solvation: | -1.65134 |
Coulombic: | -22.537 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.159 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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