ChemDB: Chemical Search
Download
Chemical ID: 4520768
Chemical ID:
4520768
Name [?]:
1-[bis(2-hydroxyethyl)amino]-3-(2-chloro-5-methyl-phenoxy)-propan-2-ol
SMILES [?]:
Cc1ccc(c(c1)OCC(CN(CCO)CCO)O)Cl
InChi [?]:
InChI=1/C14H22ClNO4/c1-11-2-3-13(15)14(8-11)20-10-12(19)9-16(4-6-17)5-7-18/h2-3,8,12,17-19H,4-7,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,16,14,17,7,11,9,2,10,5,6,20,12,15,18,19,8/E:(4,5)(6,7)(17,18)/rA:20cCCCCCCCOCCCNCCOCCOOCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s12;s16;s17;s10;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H22ClNO4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.34722 |
Area: | 519.062 |
Solvation: | -8.62933 |
Coulombic: | -59.9818 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 303.782 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.76 |
LogP (Chemaxon): | 1.5 |
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 |
---|