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Chemical ID: 6712476
Chemical ID:
6712476
Name [?]:
2,6-dichloro-N-ethyl-pyridine-4-carboxamide
SMILES [?]:
CCNC(=O)c1cc(nc(c1)Cl)Cl
InChi [?]:
InChI=1/C8H8Cl2N2O/c1-2-11-8(13)5-3-6(9)12-7(10)4-5/h3-4H,2H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,7,11,6,8,10,4,13,12,3,9,5/E:(3,4)(6,7)(9,10)/rA:13nCCNCOCCCNCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s8;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8Cl2N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0772 |
Area: | 395.693 |
Solvation: | -1.81513 |
Coulombic: | -27.7692 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.067 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.02 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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