Common name
naphthalene-1-sulfonic acid
IUPAC name
naphthalene-1-sulfonic acid
SMILES
c1ccc2c(c1S(=O)(=O)O)cccc2
Common name
naphthalene-1-sulfonic acid
IUPAC name
naphthalene-1-sulfonic acid
SMILES
c1ccc2c(c1S(=O)(=O)O)cccc2
INCHI
InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)
FORMULA
C10H8O3S
Common name
naphthalene-1-sulfonic acid
IUPAC name
naphthalene-1-sulfonic acid
Molecular weight
208.234
clogP
1.258
clogS
-2.370
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
54.37
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03145 | hydrargaphen |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ow4_ligand_frag_0.mol2 | 1ow4 | 1 | -8.03 | c1cccc2cccc(c12)S(=O)(=O)O | 14 |
| 5aut_ligand_frag_0.mol2 | 5aut | 1 | -7.84 | c1cccc2cccc(c12)S(=O)(=O)O | 14 |
| 3cfn_ligand_frag_0.mol2 | 3cfn | 1 | -7.43 | c1cccc2cccc(c12)S(=O)(=O)O | 14 |
| 2ans_ligand_frag_0.mol2 | 2ans | 1 | -7.35 | c1c2c(ccc1)cccc2S(=O)(=O)O | 14 |
| 2wor_ligand_frag_0.mol2 | 2wor | 1 | -6.83 | c1cccc2cccc(c12)S(=O)(=O)O | 14 |
| 1ybg_ligand_2_22.mol2 | 1ybg | 1 | -6.76 | OS(=O)(=O)c1cc2c(cccc2)cc1 | 14 |
| 1jg0_ligand_2_33.mol2 | 1jg0 | 1 | -6.58 | OS(=O)(=O)c1c2ccccc2ccc1 | 14 |
| 2wos_ligand_frag_0.mol2 | 2wos | 1 | -6.54 | c1c2ccc(cc2ccc1)S(=O)(=O)O | 14 |
141 ,
15
