ChemDB: Chemical Search
Download
Chemical ID: 5783335
Chemical ID:
5783335
Name [?]:
N-[(3-hydroxy-4-nitro-phenyl)methyleneamino]-2-(2-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccccc1OCC(=O)NN=Cc2ccc(c(c2)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15N3O5/c1-11-4-2-3-5-15(11)24-10-16(21)18-17-9-12-6-7-13(19(22)23)14(20)8-12/h2-9,20H,10H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,16,17,20,14,9,2,15,18,19,7,10,13,12,22,21,11,23,24,8/E:(22,23)/CRV:19.5/rA:24nCCCCCCCOCCONNCCCCCCCON+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N3O5 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.411298 |
Area: | 541.63 |
Solvation: | -13.1295 |
Coulombic: | -51.0172 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 329.308 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.15 |
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 |
---|