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Chemical ID: 6320717
Chemical ID:
6320717
Name [?]:
N-(3,5-dichlorophenyl)hexanamide
SMILES [?]:
CCCCCC(=O)Nc1cc(cc(c1)Cl)Cl
InChi [?]:
InChI=1/C12H15Cl2NO/c1-2-3-4-5-12(16)15-11-7-9(13)6-10(14)8-11/h6-8H,2-5H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,12,10,14,11,13,9,6,16,15,8,7/E:(7,8)(9,10)(13,14)/rA:16nCCCCCCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15Cl2NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.97387 |
Area: | 467.105 |
Solvation: | -1.70375 |
Coulombic: | -21.6 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 260.159 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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