ChemDB: Chemical Search
Download
Chemical ID: 6984958
Chemical ID:
6984958
Name [?]:
2-(4-methoxyphenoxy)-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)COc2ccc(cc2)OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H16N2O5/c1-11-9-12(18(20)21)3-8-15(11)17-16(19)10-23-14-6-4-13(22-2)5-7-14/h3-9H,10H2,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,20,5,15,17,14,18,6,3,11,2,4,16,13,7,9,8,21,10,22,23,19,12/E:(4,5)(6,7)(20,21)/CRV:18.5/rA:23nCCCCCCCNCOCOCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O5 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.62256 |
Area: | 528.376 |
Solvation: | -10.5868 |
Coulombic: | -45.8719 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 316.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.39 |
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 |
---|