ChemDB: Chemical Search
Download
Chemical ID: 5536823
Chemical ID:
5536823
Name [?]:
N-(2,5-dichlorophenyl)-4-methyl-cyclohexane-1-carboxamide
SMILES [?]:
CC1CCC(CC1)C(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C14H17Cl2NO/c1-9-2-4-10(5-3-9)14(18)17-13-8-11(15)6-7-12(13)16/h6-10H,2-5H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,14,15,12,2,5,13,16,11,8,18,17,10,9/E:(2,3)(4,5)/rA:18nCCCCCCCCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17Cl2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3497 |
Area: | 470.746 |
Solvation: | -1.41893 |
Coulombic: | -22.9146 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 286.196 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.94 |
LogP (Chemaxon): | 3.96 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|