ChemDB: Chemical Search
Download
Chemical ID: 6628026
Chemical ID:
6628026
Name [?]:
[4-[[2-(2,4-dichlorophenoxy)acetyl]aminoiminomethyl]phenyl] 2,4-dichlorobenzoate
SMILES [?]:
c1cc(ccc1C=NNC(=O)COc2ccc(cc2Cl)Cl)OC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C22H14Cl4N2O4/c23-14-3-7-17(18(25)9-14)22(30)32-16-5-1-13(2-6-16)11-27-28-21(29)12-31-20-8-4-15(24)10-19(20)26/h1-11H,12H2,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,5,27,16,2,4,26,15,29,18,7,12,6,28,17,3,25,30,19,14,10,23,32,21,31,20,8,9,11,24,13,22/E:(1,2)(5,6)/rA:32nCCCCCCCNNCOCOCCCCCCClClOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;s3;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H14Cl4N2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7869 |
Area: | 746.967 |
Solvation: | -6.88728 |
Coulombic: | -46.1644 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 512.168 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 7.67 |
LogP (Chemaxon): | 6.32 |
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 |
---|