ChemDB: Chemical Search
Download
Chemical ID: 7219419
Chemical ID:
7219419
Name [?]:
[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-(1-methylpyrazol-4-yl)sulfonyl-azanide
SMILES [?]:
Cn1cc(cn1)S(=O)(=O)[N-]c2ncn(n2)Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C13H11Cl2N6O2S/c1-20-7-11(5-17-20)24(22,23)19-13-16-8-21(18-13)6-9-2-3-10(14)4-12(9)15/h2-5,7-8H,6H2,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,18,19,21,5,16,3,13,17,20,4,22,11,24,23,12,6,15,10,2,14,8,9,7/E:(22,23)/CRV:19-1,24.6/rA:24nCNCCCNSOON-CNCNNCCCCCCCClCl/rB:s1;s2;d3;s4;s2d5;s4;d7;d7;s7;s10;s11;d12;s13;d11s14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Cl2N6O2S- |
All Atoms: | 35 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -22.5132 |
Area: | 570.519 |
Solvation: | -36.7761 |
Coulombic: | 11.9589 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 386.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.2 |
LogP (Chemaxon): | 1.84 |
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 |
---|