ChemDB: Chemical Search
Download
Chemical ID: 4779941
Chemical ID:
4779941
Name [?]:
2-(p-tolyl)-1,3,4-oxadiazole
SMILES [?]:
Cc1ccc(cc1)c2nnco2
InChi [?]:
InChI=1/C9H8N2O/c1-7-2-4-8(5-3-7)9-11-10-6-12-9/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,11,2,5,8,10,9,12/E:(2,3)(4,5)/rA:12nCCCCCCCCNNCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65826 |
Area: | 322.707 |
Solvation: | -1.4094 |
Coulombic: | -14.199 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 160.173 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.33 |
LogP (Chemaxon): | 1.37 |
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 |
---|