ChemDB: Chemical Search
Download
Chemical ID: 4253507
Chemical ID:
4253507
Name [?]:
4-(3-chlorophenoxy)piperidine
SMILES [?]:
c1cc(cc(c1)Cl)OC2CCNCC2
InChi [?]:
InChI=1/C11H14ClNO/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-3,8,10,13H,4-7H2
InChi Info:
AuxInfo=1/0/N:1,6,2,10,14,11,13,4,5,9,3,7,12,8/E:(4,5)(6,7)/rA:14nCCCCCCClOCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14ClNO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.566 |
Area: | 382.219 |
Solvation: | -1.98948 |
Coulombic: | -17.6686 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 211.688 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.72 |
LogP (Chemaxon): | 1.93 |
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 |
---|