Chemical ID: 7275077

c1cc(ncc1C(=O)NCC2CCCCC2)Cl
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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Descriptor Annotations

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