ChemDB: Chemical Search
Download
Chemical ID: 6628078
Chemical ID:
6628078
Name [?]:
N'-(2-chlorophenyl)-N-[(2-chlorophenyl)methyleneamino]oxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C(=O)Nc2ccccc2Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N3O2/c16-11-6-2-1-5-10(11)9-18-20-15(22)14(21)19-13-8-4-3-7-12(13)17/h1-9H,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,6,3,19,16,7,5,4,20,15,12,10,22,21,8,14,9,13,11/rA:22nCCCCCCCNNCOCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7647 |
Area: | 525.969 |
Solvation: | -2.38451 |
Coulombic: | -46.8254 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 336.172 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.27 |
LogP (Chemaxon): | 3.37 |
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 |
---|