Common name
2-methylnaphthalene-1-sulfonic acid
IUPAC name
2-methylnaphthalene-1-sulfonic acid
SMILES
Cc1c(c2c(cccc2)cc1)S(=O)(=O)O
Common name
2-methylnaphthalene-1-sulfonic acid
IUPAC name
2-methylnaphthalene-1-sulfonic acid
SMILES
Cc1c(c2c(cccc2)cc1)S(=O)(=O)O
INCHI
InChI=1S/C11H10O3S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3,(H,12,13,14)
FORMULA
C11H10O3S
Common name
2-methylnaphthalene-1-sulfonic acid
IUPAC name
2-methylnaphthalene-1-sulfonic acid
Molecular weight
222.260
clogP
1.730
clogS
-2.910
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 |
|---|---|---|---|---|---|
| 4lk6_ligand_1_0.mol2 | 4lk6 | 0.972222 | -5.34 | Cc1c(S(=O)(=O)O)cccc1 | 11 |
| 2l84_ligand_frag_2.mol2 | 2l84 | 0.853659 | -6.52 | c1cc(c(cc1C)C)S(=O)(=O)O | 12 |
| 1thz_ligand_frag_0.mol2 | 1thz | 0.8 | -5.83 | c1c(cccc1C)S(=O)(=O)O | 11 |
| 4clz_ligand_1_2.mol2 | 4clz | 0.777778 | -6.50 | C=Cc1c(cccc1)S(=O)(=O)O | 12 |
| 4clz_ligand_1_1.mol2 | 4clz | 0.777778 | -6.31 | C(=C)c1c(S(=O)(=O)O)cccc1 | 12 |
| 1ow4_ligand_frag_0.mol2 | 1ow4 | 0.75 | -8.03 | c1cccc2cccc(c12)S(=O)(=O)O | 14 |
| 5aut_ligand_frag_0.mol2 | 5aut | 0.75 | -7.84 | c1cccc2cccc(c12)S(=O)(=O)O | 14 |
| 3cfn_ligand_frag_0.mol2 | 3cfn | 0.75 | -7.43 | c1cccc2cccc(c12)S(=O)(=O)O | 14 |
| 2ans_ligand_frag_0.mol2 | 2ans | 0.75 | -7.35 | c1c2c(ccc1)cccc2S(=O)(=O)O | 14 |
131 ,
14
