ChemDB: Chemical Search
Download
Chemical ID: 6635901
Chemical ID:
6635901
Name [?]:
2-ethyl-6-phenyl-pyran
SMILES [?]:
CCc1cccc([o+]1)c2ccccc2
InChi [?]:
InChI=1/C13H13O/c1-2-12-9-6-10-13(14-12)11-7-4-3-5-8-11/h3-10H,2H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,5,10,14,4,6,9,3,7,8/E:(4,5)(7,8)/CRV:14+1/rA:14nCCCCCCCO+CCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13O+ |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -16.9413 |
Area: | 365.034 |
Solvation: | -26.0672 |
Coulombic: | 18.8458 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 185.242 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.33 |
LogP (Chemaxon): | 4.35 |
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 |
---|