ChemDB: Chemical Search
Download
Chemical ID: 4705151
Chemical ID:
4705151
Name [?]:
4-methyl-5,6,8,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-2-ol
SMILES [?]:
Cc1cc(c2nncn2n1)O
InChi [?]:
InChI=1/C6H6N4O/c1-4-2-5(11)6-8-7-3-10(6)9-4/h2-3,11H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,8,2,4,5,7,6,10,9,11/rA:11nCCCCCNNCNNO/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;d2s9;s4;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6N4O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.83438 |
Area: | 292.028 |
Solvation: | -2.46631 |
Coulombic: | -24.7096 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 150.138 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.3 |
LogP (Chemaxon): | -2.97 |
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 |
---|