ChemDB: Chemical Search
Download
Chemical ID: 7284625
Chemical ID:
7284625
Name [?]:
N-(2-hydroxy-1,1-dimethyl-ethyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
CC(C)(CO)NC(=O)COc1ccc(cc1)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H16N2O5/c1-12(2,8-15)13-11(16)7-19-10-5-3-9(4-6-10)14(17)18/h3-6,15H,7-8H2,1-2H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,3,13,15,12,16,9,4,14,11,7,2,6,17,5,8,18,19,10/E:(1,2)(3,4)(5,6)(17,18)/CRV:14.5/rA:19nCCCCONCOCOCCCCCCN+OO-/rB:s1;s2;s2;s4;s2;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O5 |
All Atoms: | 35 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.854714 |
Area: | 466.888 |
Solvation: | -10.8175 |
Coulombic: | -54.8442 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 268.266 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.05 |
LogP (Chemaxon): | 0.72 |
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 |
---|