ChemDB: Chemical Search
Download
Chemical ID: 7359347
Chemical ID:
7359347
Name [?]:
2-(3-acetylphenoxy)-N-(2-methyl-5-nitro-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)COc2cccc(c2)C(=O)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H16N2O5/c1-11-6-7-14(19(22)23)9-16(11)18-17(21)10-24-15-5-3-4-13(8-15)12(2)20/h3-9H,10H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,15,16,14,3,4,18,6,11,2,19,17,5,13,7,9,8,22,20,10,23,24,12/E:(22,23)/CRV:19.5/rA:24nCCCCCCCNCOCOCCCCCCCOCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;s5;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O5 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.35649 |
Area: | 545.795 |
Solvation: | -11.2884 |
Coulombic: | -45.354 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 328.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.51 |
LogP (Chemaxon): | 1.96 |
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 |
---|