ChemDB: Chemical Search
Download
Chemical ID: 4415180
Chemical ID:
4415180
Name [?]:
4-[3-(2-allyl-4-chloro-phenoxy)propyl]morpholine
SMILES [?]:
C=CCc1cc(ccc1OCCCN2CCOCC2)Cl
InChi [?]:
InChI=1/C16H22ClNO2/c1-2-4-14-13-15(17)5-6-16(14)20-10-3-7-18-8-11-19-12-9-18/h2,5-6,13H,1,3-4,7-12H2
InChi Info:
AuxInfo=1/0/N:1,2,12,3,7,8,13,15,19,11,16,18,5,4,6,9,20,14,17,10/E:(8,9)(11,12)/rA:20nCCCCCCCCCOCCCNCCOCCCl/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22ClNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47226 |
Area: | 525.395 |
Solvation: | -3.66263 |
Coulombic: | -23.2068 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 295.804 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.45 |
LogP (Chemaxon): | 3.05 |
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 |
---|