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Chemical ID: 4759888
Chemical ID:
4759888
Name [?]:
2,2-dimethyl-N-(2,4,5-trichlorophenyl)-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1cc(c(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C11H12Cl3NO/c1-11(2,3)10(16)15-9-5-7(13)6(12)4-8(9)14/h4-5H,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,12,9,11,10,13,8,5,2,15,16,14,7,6/E:(1,2,3)/rA:16nCCCCCONCCCCCCClClCl/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;s11;s10;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12Cl3NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.69136 |
Area: | 443.759 |
Solvation: | -1.40262 |
Coulombic: | -22.3567 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 280.577 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.89 |
LogP (Chemaxon): | 4.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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