ChemDB: Chemical Search
Download
Chemical ID: 7365204
Chemical ID:
7365204
Name [?]:
3,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-2-carboxamide
SMILES [?]:
c1cc(ccc1CNC(=O)c2c(ccc(n2)Cl)Cl)Cl
InChi [?]:
InChI=1/C13H9Cl3N2O/c14-9-3-1-8(2-4-9)7-17-13(19)12-10(15)5-6-11(16)18-12/h1-6H,7H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,13,14,7,6,3,12,15,11,9,19,18,17,8,16,10/E:(1,2)(3,4)/rA:19nCCCCCCCNCOCCCCCNClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s12;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9Cl3N2O |
All Atoms: | 28 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7333 |
Area: | 502.332 |
Solvation: | -1.82496 |
Coulombic: | -31.1367 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 315.582 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.73 |
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 |
---|