ChemDB: Chemical Search
Download
Chemical ID: 4882968
Chemical ID:
4882968
Name [?]:
3-(2-chloro-6-fluoro-phenyl)-1-(4-hydroxyphenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(c(c(c1)Cl)C=CC(=O)c2ccc(cc2)O)F
InChi [?]:
InChI=1/C15H10ClFO2/c16-13-2-1-3-14(17)12(13)8-9-15(19)10-4-6-11(18)7-5-10/h1-9,18H
InChi Info:
AuxInfo=1/0/N:1,6,2,13,17,14,16,8,9,12,15,4,5,3,10,7,19,18,11/E:(4,5)(6,7)/rA:19nCCCCCCClCCCOCCCCCCOF/rB:s1;d2;s3;d4;d1s5;s5;s4;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10ClFO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52694 |
Area: | 439.612 |
Solvation: | -3.46336 |
Coulombic: | -30.4236 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.69 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.39 |
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 |
---|