ChemDB: Chemical Search
Download
Chemical ID: 6045439
Chemical ID:
6045439
Name [?]:
None
SMILES [?]:
Cn1c2ccc3c(c2nc1N)nccn3
InChi [?]:
InChI=1/C10H9N5/c1-15-7-3-2-6-8(13-5-4-12-6)9(7)14-10(15)11/h2-5H,1H3,(H2,11,14)
InChi Info:
AuxInfo=1/1/N:1,5,4,14,13,6,3,7,8,10,11,15,12,9,2/rA:15nCNCCCCCCNCNNCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;s8;s2d9;s10;d7;s12;d13;d6s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.34195 |
Area: | 352.359 |
Solvation: | -2.46704 |
Coulombic: | -38.1382 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 199.212 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 0.72 |
LogP (Chemaxon): | 1.1 |
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 |
---|