ChemDB: Chemical Search
Download
Chemical ID: 4730753
Chemical ID:
4730753
Name [?]:
8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene-4,5-diamine
SMILES [?]:
c1cc2c(c(c1N)N)non2
InChi [?]:
InChI=1/C6H6N4O/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,4,7,8,11,9,10/rA:11nCCCCCCNNNON/rB:d1;s2;s3;s4;s1d5;s6;s5;d4;s9;d3s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6N4O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.60797 |
Area: | 290.011 |
Solvation: | -1.6423 |
Coulombic: | -35.4712 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 150.138 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 1.14 |
LogP (Chemaxon): | 0.11 |
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 |
---|