ChemDB: Chemical Search
Download
Chemical ID: 6935244
Chemical ID:
6935244
Name [?]:
2-(4-chlorophenyl)-N-(3-chloropropyl)acetamide
SMILES [?]:
c1cc(ccc1CC(=O)NCCCCl)Cl
InChi [?]:
InChI=1/C11H13Cl2NO/c12-6-1-7-14-11(15)8-9-2-4-10(13)5-3-9/h2-5H,1,6-8H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:12,1,5,2,4,13,11,7,6,3,8,14,15,10,9/E:(2,3)(4,5)/rA:15nCCCCCCCCONCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s13;s3;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13Cl2NO |
All Atoms: | 28 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84656 |
Area: | 450.475 |
Solvation: | -2.41532 |
Coulombic: | -22.0488 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.132 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.98 |
LogP (Chemaxon): | 2.33 |
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 |
---|