Chemical ID: 4663707

CCOc1cc(no1)Oc2ccccc2
Chemical ID:
4663707
Name [?]:
5-ethoxy-3-phenoxy-isoxazole
SMILES [?]:
CCOc1cc(no1)Oc2ccccc2
InChi [?]:
InChI=1/C11H11NO3/c1-2-13-11-8-10(12-15-11)14-9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,11,15,5,10,6,4,7,3,9,8/E:(4,5)(6,7)/rA:15nCCOCCCNOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.48514
Area:382.176
Solvation:-2.06926
Coulombic:-24.3718
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:205.21
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.38
LogP (Chemaxon):2.71

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