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Chemical ID: 6934734
Chemical ID:
6934734
Name [?]:
2,2-dimethyl-N-(2,4,5-trichlorophenyl)-butanamide
SMILES [?]:
CCC(C)(C)C(=O)Nc1cc(c(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C12H14Cl3NO/c1-4-12(2,3)11(17)16-10-6-8(14)7(13)5-9(10)15/h5-6H,4H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,4,5,2,13,10,12,11,14,9,6,3,16,17,15,8,7/E:(2,3)/rA:17nCCCCCCONCCCCCCClClCl/rB:s1;s2;s3;s3;s3;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: | 10.2254 |
Area: | 464.573 |
Solvation: | -1.38892 |
Coulombic: | -22.7611 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.604 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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