ChemDB: Chemical Search
Download
Chemical ID: 4294601
Chemical ID:
4294601
Name [?]:
2-[5-(2,4-dichlorophenoxy)pentylamino]ethanol
SMILES [?]:
c1cc(c(cc1Cl)Cl)OCCCCCNCCO
InChi [?]:
InChI=1/C13H19Cl2NO2/c14-11-4-5-13(12(15)10-11)18-9-3-1-2-6-16-7-8-17/h4-5,10,16-17H,1-3,6-9H2
InChi Info:
AuxInfo=1/0/N:12,13,11,1,2,14,16,17,10,5,6,4,3,7,8,15,18,9/rA:18nCCCCCCClClOCCCCCNCCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19Cl2NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.96155 |
Area: | 528.72 |
Solvation: | -4.25646 |
Coulombic: | -33.6907 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 292.201 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.16 |
LogP (Chemaxon): | 2.9 |
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 |
---|