ChemDB: Chemical Search
Download
Chemical ID: 4722106
Chemical ID:
4722106
Name [?]:
5-(1-phenoxyethyl)isoxazole
SMILES [?]:
CC(c1ccno1)Oc2ccccc2
InChi [?]:
InChI=1/C11H11NO2/c1-9(11-7-8-12-14-11)13-10-5-3-2-4-6-10/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,4,5,2,9,3,6,8,7/E:(3,4)(5,6)/rA:14cCCCCCNOOCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s2;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.24156 |
Area: | 364.917 |
Solvation: | -3.88136 |
Coulombic: | -11.3009 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.25 |
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 |
---|