ChemDB: Chemical Search
Download
Chemical ID: 6319067
Chemical ID:
6319067
Name [?]:
N-(3,5-dichlorophenyl)cyclohexanecarboxamide
SMILES [?]:
c1c(cc(cc1Cl)Cl)NC(=O)C2CCCCC2
InChi [?]:
InChI=1/C13H15Cl2NO/c14-10-6-11(15)8-12(7-10)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:15,14,16,13,17,5,1,3,12,6,4,2,10,7,8,9,11/E:(2,3)(4,5)(7,8)(10,11)(14,15)/rA:17nCCCCCCClClNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;s9;d10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7685 |
Area: | 453.399 |
Solvation: | -1.56647 |
Coulombic: | -21.9837 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.17 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.43 |
LogP (Chemaxon): | 4.28 |
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 |
---|