ChemDB: Chemical Search
Download
Chemical ID: 5794072
Chemical ID:
5794072
Name [?]:
2-(2,6-dimethylphenoxy)-N-[(3-hydroxy-4-nitro-phenyl)methyleneamino]acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)NN=Cc2ccc(c(c2)O)[N+](=O)[O-])C
InChi [?]:
InChI=1/C17H17N3O5/c1-11-4-3-5-12(2)17(11)25-10-16(22)19-18-9-13-6-7-14(20(23)24)15(21)8-13/h3-9,21H,10H2,1-2H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,25,4,3,5,16,17,20,14,9,2,6,15,18,19,10,7,13,12,22,21,11,23,24,8/E:(1,2)(4,5)(11,12)(23,24)/CRV:20.5/rA:25nCCCCCCCOCCONNCCCCCCCON+OO-C/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;d22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N3O5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.20173 |
Area: | 561.693 |
Solvation: | -12.8406 |
Coulombic: | -51.4691 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 343.334 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.62 |
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 |
---|