Chemical ID: 6635901

CCc1cccc([o+]1)c2ccccc2
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue