ChemDB: Chemical Search
Download
Chemical ID: 4293613
Chemical ID:
4293613
Name [?]:
N-[3-(2,4-dichlorophenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCNCCCOc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C13H19Cl2NO/c1-2-3-7-16-8-4-9-17-13-6-5-11(14)10-12(13)15/h5-6,10,16H,2-4,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,7,12,11,4,6,8,14,13,15,10,17,16,5,9/rA:17nCCCCNCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3018 |
Area: | 509.575 |
Solvation: | -2.43759 |
Coulombic: | -18.3433 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.202 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.71 |
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 |
---|