ChemDB: Chemical Search
Download
Chemical ID: 7242229
Chemical ID:
7242229
Name [?]:
ethyl 5-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxylate
SMILES [?]:
CCOC(=O)c1cn2cccc(c2n1)C
InChi [?]:
InChI=1/C11H12N2O2/c1-3-15-11(14)9-7-13-6-4-5-8(2)10(13)12-9/h4-7H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,10,11,9,7,12,6,13,4,14,8,5,3/rA:15nCCOCOCCNCCCCCNC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s8s12;s6d13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.68547 |
Area: | 387.945 |
Solvation: | -2.01316 |
Coulombic: | -31.9696 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.51 |
LogP (Chemaxon): | None |
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 |
---|