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Chemical ID: 7275077
Chemical ID:
7275077
Name [?]:
6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
SMILES [?]:
c1cc(ncc1C(=O)NCC2CCCCC2)Cl
InChi [?]:
InChI=1/C13H17ClN2O/c14-12-7-6-11(9-15-12)13(17)16-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:14,13,15,12,16,1,2,10,5,11,6,3,7,17,4,9,8/E:(2,3)(4,5)/rA:17nCCCNCCCONCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17ClN2O |
All Atoms: | 34 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46294 |
Area: | 451.662 |
Solvation: | -1.82861 |
Coulombic: | -28.4889 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 252.74 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.33 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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