Common name
3-fluorobenzaldehyde
IUPAC name
3-fluorobenzaldehyde
SMILES
C(=O)c1cc(ccc1)F
Common name
3-fluorobenzaldehyde
IUPAC name
3-fluorobenzaldehyde
SMILES
C(=O)c1cc(ccc1)F
INCHI
InChI=1S/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H
FORMULA
C7H5FO
Common name
3-fluorobenzaldehyde
IUPAC name
3-fluorobenzaldehyde
Molecular weight
124.112
clogP
2.422
clogS
-1.975
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
17.07
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02402 | triafamone |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fvd_ligand_1_3.mol2 | 2fvd | 0.903226 | -6.19 | C(=O)c1c(c(ccc1)F)F | 10 |
| 2ogz_ligand_1_6.mol2 | 2ogz | 0.833333 | -6.79 | c1(ccc(F)cc1)C=O | 9 |
| 4li7_ligand_1_6.mol2 | 4li7 | 0.833333 | -6.69 | C(=O)c1ccc(cc1)F | 9 |
| 4li8_ligand_1_6.mol2 | 4li8 | 0.833333 | -6.64 | c1(ccc(cc1)F)C=O | 9 |
| 1w6j_ligand_1_1.mol2 | 1w6j | 0.833333 | -6.61 | C(=O)c1c(F)cccc1 | 9 |
| 5acx_ligand_1_1.mol2 | 5acx | 0.833333 | -6.34 | C(=O)c1ccc(cc1)F | 9 |
| 1pye_ligand_1_2.mol2 | 1pye | 0.78125 | -6.13 | c1(c(cccc1F)F)C=O | 10 |
| 5c4s_ligand_frag_2.mol2 | 5c4s | 0.777778 | -7.37 | Fc1cc(ccc1)C(=O)O | 10 |
163 ,
17
