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Chemical ID: 6934814
Chemical ID:
6934814
Name [?]:
N-(2,5-dichlorophenyl)-3,3-dimethyl-butanamide
SMILES [?]:
CC(C)(C)CC(=O)Nc1cc(ccc1Cl)Cl
InChi [?]:
InChI=1/C12H15Cl2NO/c1-12(2,3)7-11(16)15-10-6-8(13)4-5-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,13,10,5,11,14,9,6,2,16,15,8,7/E:(1,2,3)/rA:16nCCCCCCONCCCCCCClCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15Cl2NO |
All Atoms: | 31 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.54331 |
Area: | 437.702 |
Solvation: | -1.39923 |
Coulombic: | -22.2757 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.159 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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