ChemDB: Chemical Search
Download
Chemical ID: 4086502
Chemical ID:
4086502
Name [?]:
2-(4-methyl-1,2,5-oxadiazol-3-yl)indolizine
SMILES [?]:
Cc1c(non1)c2cc3ccccn3c2
InChi [?]:
InChI=1/C11H9N3O/c1-8-11(13-15-12-8)9-6-10-4-2-3-5-14(10)7-9/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,8,15,2,7,9,3,6,4,14,5/rA:15nCCCNONCCCCCCCNC/rB:s1;s2;d3;s4;d2s5;s3;s7;d8;s9;d10;s11;d12;s9s13;d7s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9N3O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.94339 |
Area: | 363.741 |
Solvation: | -2.15014 |
Coulombic: | -7.29072 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 199.209 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.3 |
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 |
---|