ChemDB: Chemical Search
Download
Chemical ID: 6340631
Chemical ID:
6340631
Name [?]:
4-chloro-N-(o-tolyl)butanamide
SMILES [?]:
Cc1ccccc1NC(=O)CCCCl
InChi [?]:
InChI=1/C11H14ClNO/c1-9-5-2-3-6-10(9)13-11(14)7-4-8-12/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,4,5,12,3,6,11,13,2,7,9,14,8,10/rA:14nCCCCCCCNCOCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78786 |
Area: | 402.909 |
Solvation: | -2.28486 |
Coulombic: | -20.6918 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.21 |
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 |
---|