ChemDB: Chemical Search
Download
Chemical ID: 4130765
Chemical ID:
4130765
Name [?]:
N'-[(2,4-dichlorophenyl)methyleneamino]-N-(p-tolyl)oxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N3O2/c1-10-2-6-13(7-3-10)20-15(22)16(23)21-19-9-11-4-5-12(17)8-14(11)18/h2-9H,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,17,18,4,6,20,15,2,16,19,5,21,9,11,23,22,14,8,13,10,12/E:(2,3)(6,7)/rA:23nCCCCCCCNCOCONNCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2242 |
Area: | 554.995 |
Solvation: | -2.65065 |
Coulombic: | -45.5691 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 350.199 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.71 |
LogP (Chemaxon): | 4.48 |
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 |
---|