ChemDB: Chemical Search
Download
Chemical ID: 6943512
Chemical ID:
6943512
Name [?]:
N-(2,3-dimethylphenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)COc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C16H16N2O4/c1-11-6-5-7-13(12(11)2)17-16(19)10-22-15-9-4-3-8-14(15)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,8,17,16,4,3,5,18,15,12,2,7,6,19,14,10,9,20,11,21,22,13/E:(20,21)/CRV:18.5/rA:22nCCCCCCCCNCOCOCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O4 |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.338818 |
Area: | 497.676 |
Solvation: | -12.1031 |
Coulombic: | -37.2546 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 300.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.11 |
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 |
---|