Chemical ID: 6934733

CC(C)(C)CC(=O)Nc1cc(c(cc1Cl)Cl)Cl
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue