ChemDB: Chemical Search
Download
Chemical ID: 6177293
Chemical ID:
6177293
Name [?]:
N-(2-methoxyethyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
COCCNC(=O)COc1ccc(cc1)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H14N2O5/c1-17-7-6-12-11(14)8-18-10-4-2-9(3-5-10)13(15)16/h2-5H,6-8H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,12,14,11,15,4,3,8,13,10,6,5,16,7,17,18,2,9/E:(2,3)(4,5)(15,16)/CRV:13.5/rA:18nCOCCNCOCOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O5 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.572363 |
Area: | 467.162 |
Solvation: | -11.1067 |
Coulombic: | -45.7958 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 254.239 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 0.69 |
LogP (Chemaxon): | 0.51 |
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 |
---|