ChemDB: Chemical Search
Download
Chemical ID: 7221676
Chemical ID:
7221676
Name [?]:
None
SMILES [?]:
Cc1c(cn(n1)Cc2nc3c4ccccc4ncn3n2)Cl
InChi [?]:
InChI=1/C14H11ClN6/c1-9-11(15)6-20(18-9)7-13-17-14-10-4-2-3-5-12(10)16-8-21(14)19-13/h2-6,8H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,4,7,18,2,11,3,16,8,10,21,17,9,6,20,5,19/rA:21nCCCCNNCCNCCCCCCCNCNNCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s18;d8s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11ClN6 |
All Atoms: | 32 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39869 |
Area: | 483.177 |
Solvation: | -2.68073 |
Coulombic: | -21.9256 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 298.73 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.26 |
LogP (Chemaxon): | 3.15 |
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 |
---|