ChemDB: Chemical Search
Download
Chemical ID: 7114644
Chemical ID:
7114644
Name [?]:
1-(4-diethylamino-2-hydroxy-phenyl)ethanone
SMILES [?]:
CCN(CC)c1ccc(c(c1)O)C(=O)C
InChi [?]:
InChI=1/C12H17NO2/c1-4-13(5-2)10-6-7-11(9(3)14)12(15)8-10/h6-8,15H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,4,7,8,11,13,6,9,10,3,14,12/E:(1,2)(4,5)/rA:15nCCNCCCCCCCCOCOC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s9;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 32 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.53189 |
Area: | 392.84 |
Solvation: | -3.28909 |
Coulombic: | -28.8464 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.94 |
LogP (Chemaxon): | 2.67 |
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 |
---|