ChemDB: Chemical Search
Download
Chemical ID: 6934733
Chemical ID:
6934733
Name [?]:
3,3-dimethyl-N-(2,4,5-trichlorophenyl)-butanamide
SMILES [?]:
CC(C)(C)CC(=O)Nc1cc(c(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C12H14Cl3NO/c1-12(2,3)6-11(17)16-10-5-8(14)7(13)4-9(10)15/h4-5H,6H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,10,5,12,11,14,9,6,2,16,17,15,8,7/E:(1,2,3)/rA:17nCCCCCCONCCCCCCClClCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s14;s12;s11;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14Cl3NO |
All Atoms: | 31 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1715 |
Area: | 465.002 |
Solvation: | -1.4535 |
Coulombic: | -22.0234 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 294.604 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.08 |
LogP (Chemaxon): | 4.06 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|