ChemDB: Chemical Search
Download
Chemical ID: 5011577
Chemical ID:
5011577
Name [?]:
2-(2,3-dichlorophenyl)piperidine
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)C2CCCCN2
InChi [?]:
InChI=1/C11H13Cl2N/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10/h3-5,10,14H,1-2,6-7H2
InChi Info:
AuxInfo=1/0/N:11,12,1,2,6,10,13,3,5,9,4,7,8,14/rA:14cCCCCCCClClCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13Cl2N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.81008 |
Area: | 380.838 |
Solvation: | -0.710881 |
Coulombic: | -11.6443 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 230.133 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.4 |
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 |
---|