ChemDB: Chemical Search
Download
Chemical ID: 5237290
Chemical ID:
5237290
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(=O)[nH]ncn3n2
InChi [?]:
InChI=1/C9H6N4O/c14-9-8-6-3-1-2-4-7(6)12-13(8)5-10-11-9/h1-5H,(H,11,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,5,4,7,8,11,10,14,13,9/rA:14nCCCCCCCCONNCNN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;s8;s10;d11;s7s12;d4s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6N4O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.3593 |
Area: | 328.234 |
Solvation: | -1.84656 |
Coulombic: | -26.5321 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 186.17 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.17 |
LogP (Chemaxon): | 1.03 |
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 |
---|