ChemDB: Chemical Search
Download
Chemical ID: 4338150
Chemical ID:
4338150
Name [?]:
3-(4-ethoxyphenyl)-1-(4-fluorophenyl)-prop-2-en-1-one
SMILES [?]:
CCOc1ccc(cc1)C=CC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C17H15FO2/c1-2-20-16-10-3-13(4-11-16)5-12-17(19)14-6-8-15(18)9-7-14/h3-12H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,10,15,19,16,18,5,9,11,7,14,17,4,12,20,13,3/E:(3,4)(6,7)(8,9)(10,11)/rA:20nCCOCCCCCCCCCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15FO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35319 |
Area: | 460.548 |
Solvation: | -4.16052 |
Coulombic: | -21.0251 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.298 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.35 |
LogP (Chemaxon): | 4.24 |
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 |
---|