ChemDB: Chemical Search
Download
Chemical ID: 5152263
Chemical ID:
5152263
Name [?]:
1-[bis(2-hydroxyethyl)amino]-3-(2-chlorophenoxy)-propan-2-ol
SMILES [?]:
c1ccc(c(c1)OCC(CN(CCO)CCO)O)Cl
InChi [?]:
InChI=1/C13H20ClNO4/c14-12-3-1-2-4-13(12)19-10-11(18)9-15(5-7-16)6-8-17/h1-4,11,16-18H,5-10H2
InChi Info:
AuxInfo=1/0/N:2,1,3,6,12,15,13,16,10,8,9,4,5,19,11,14,17,18,7/E:(5,6)(7,8)(16,17)/rA:19cCCCCCCOCCCNCCOCCOOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s11;s15;s16;s9;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20ClNO4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.70596 |
Area: | 489.646 |
Solvation: | -7.53518 |
Coulombic: | -61.6943 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 289.755 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.32 |
LogP (Chemaxon): | 1.03 |
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 |
---|