ChemDB: Chemical Search
Download
Chemical ID: 6109190
Chemical ID:
6109190
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3ccc(nc3[nH]2)N
InChi [?]:
InChI=1/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,9,5,7,4,10,12,14,13,11/rA:14nCCCCCCCCCCNCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9N3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.91587 |
Area: | 340.588 |
Solvation: | -1.59884 |
Coulombic: | -34.094 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 183.209 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.92 |
LogP (Chemaxon): | 2.88 |
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 |
---|