ChemDB: Chemical Search
Download
Chemical ID: 4724665
Chemical ID:
4724665
Name [?]:
1-[4-[[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]oxy]phenyl]ethanone
SMILES [?]:
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
InChi [?]:
InChI=1/C16H11FN2O3/c1-10(20)11-6-8-12(9-7-11)21-16-18-15(22-19-16)13-4-2-3-5-14(13)17/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,20,5,9,6,8,2,4,7,16,21,13,11,22,12,15,3,10,14/E:(6,7)(8,9)/rA:22nCCOCCCCCCOCNCONCCCCCCF/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s13;d11s14;s13;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11FN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33462 |
Area: | 483.429 |
Solvation: | -3.7511 |
Coulombic: | -35.1511 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.269 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.59 |
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 |
---|