ChemDB: Chemical Search
Download
Chemical ID: 4950473
Chemical ID:
4950473
Name [?]:
2-methoxy-3,5,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraene
SMILES [?]:
COc1c2cn[nH]c2ncn1
InChi [?]:
InChI=1/C6H6N4O/c1-11-6-4-2-9-10-5(4)7-3-8-6/h2-3H,1H3,(H,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,5,10,4,8,3,9,11,6,7,2/rA:11nCOCCCNNCNCN/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6N4O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.11257 |
Area: | 292.094 |
Solvation: | -2.18977 |
Coulombic: | -28.3201 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 150.138 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.23 |
LogP (Chemaxon): | 0.51 |
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 |
---|