Common name
(Z)-3-(4-chlorophenyl)prop-2-en-1-ol
IUPAC name
(Z)-3-(4-chlorophenyl)prop-2-en-1-ol
SMILES
C(=C\c1ccc(cc1)Cl)\CO
Common name
(Z)-3-(4-chlorophenyl)prop-2-en-1-ol
IUPAC name
(Z)-3-(4-chlorophenyl)prop-2-en-1-ol
SMILES
C(=C\c1ccc(cc1)Cl)\CO
INCHI
InChI=1S/C9H9ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1-
FORMULA
C9H9ClO
Common name
(Z)-3-(4-chlorophenyl)prop-2-en-1-ol
IUPAC name
(Z)-3-(4-chlorophenyl)prop-2-en-1-ol
Molecular weight
168.620
clogP
2.797
clogS
-2.321
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03080 | uniconazole |
|
Fungicide | Fungicide |
| FDBD03081 | uniconazole-P |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xbo_ligand_3_15.mol2 | 1xbo | 0.756757 | -6.65 | C(=C\CO)/c1ccccc1 | 10 |
| 1zpa_ligand_3_346.mol2 | 1zpa | 0.756757 | -6.58 | c1(ccccc1)/C=C/CO | 10 |
| 2fdd_ligand_3_121.mol2 | 2fdd | 0.756757 | -6.58 | C(=C\c1ccccc1)/CO | 10 |
| 2fde_ligand_3_121.mol2 | 2fde | 0.756757 | -6.56 | C(=C\CO)/c1ccccc1 | 10 |
| 4n8d_ligand_3_19.mol2 | 4n8d | 0.756757 | -5.56 | C(/C=C/c1ccccc1)O | 10 |
| 1zpa_ligand_4_1330.mol2 | 1zpa | 0.666667 | -6.92 | C(=C\c1ccccc1)/[C@H](O)C | 11 |
100 ,
11
