ChemDB: Chemical Search
Download
Chemical ID: 6626332
Chemical ID:
6626332
Name [?]:
[4-[[2-(2-chlorophenoxy)acetyl]aminoiminomethyl]phenyl] benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccccc3Cl
InChi [?]:
InChI=1/C22H17ClN2O4/c23-19-8-4-5-9-20(19)28-15-21(26)25-24-14-16-10-12-18(13-11-16)29-22(27)17-6-2-1-3-7-17/h1-14H,15H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,25,3,5,27,24,12,14,11,15,16,21,13,4,10,28,23,19,7,29,17,18,20,8,22,9/E:(2,3)(6,7)(10,11)(12,13)/rA:29nCCCCCCCOOCCCCCCCNNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17ClN2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85969 |
Area: | 655.913 |
Solvation: | -6.53814 |
Coulombic: | -47.4782 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.834 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 5.8 |
LogP (Chemaxon): | 4.76 |
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 |
---|