ChemDB: Chemical Search
Download
Chemical ID: 4361128
Chemical ID:
4361128
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N-(2-chloro-5-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1Cl)OCC(=O)Nc2cc(ccc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H12Cl2N2O4/c1-9-6-11(3-5-12(9)16)23-8-15(20)18-14-7-10(19(21)22)2-4-13(14)17/h2-7H,8H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,17,5,18,6,3,15,10,2,16,4,7,19,14,11,8,20,13,21,12,22,23,9/E:(21,22)/CRV:19.5/rA:23nCCCCCCCClOCCONCCCCCCClN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl2N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.77541 |
Area: | 551.938 |
Solvation: | -9.02303 |
Coulombic: | -39.8207 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.172 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.68 |
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 |
---|