Responsive image

Common name

N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine

IUPAC name

N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine

SMILES

FC(F)(F)c1cc(ccc1)CNO

Common name

N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine

IUPAC name

N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine

SMILES

FC(F)(F)c1cc(ccc1)CNO

INCHI

InChI=1S/C8H8F3NO/c9-8(10,11)7-3-1-2-6(4-7)5-12-13/h1-4,12-13H,5H2

FORMULA

C8H8F3NO

Responsive image

Common name

N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine

IUPAC name

N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine





Molecular weight

191.150

clogP

1.312

clogS

-2.562

Frequency

0.0003





HBond Acceptor

1

HBond Donor

2

Total Polar
Surface Area

20.23

Number of Rings

1

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01053 Ridogrel Responsive image Platelet Aggregation Inhibitors; Gastrointestinal Agents; Enzyme Inhibitors; Thrombolytic Agents; Used as an adjunctive therapy to induce thrombolysis in patients suffering acute myocardial infarction.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4zh2_ligand_1_0.mol2 4zh2 1 -6.90 FC(F)(F)c1cc(ccc1)C[NH2+]O 13
4zh3_ligand_1_0.mol2 4zh3 0.808511 -6.76 c1(cc(ccc1F)C[NH2+]O)C(F)(F)F 14
4zh2_ligand_2_0.mol2 4zh2 0.791667 -7.18 FC(F)(F)c1cc(ccc1)C(=N)[NH+]O 14
4mm9_ligand_3_112.mol2 4mm9 0.780488 -7.33 O[NH2+]Cc1ccc(cc1)C(F)(F)F 13
4mm9_ligand_4_197.mol2 4mm9 0.680851 -7.70 O[NH2+][C@H](C)c1ccc(cc1)C(F)(F)F 14
2osc_ligand_2_9.mol2 2osc 0.659574 -7.34 C(F)(F)(F)c1cc(ccc1)C(=O)N 13
4i5h_ligand_2_0.mol2 4i5h 0.659574 -7.24 C(=O)(N)c1cc(C(F)(F)F)ccc1 13
2e2b_ligand_2_1.mol2 2e2b 0.659574 -7.17 NC(=O)c1cccc(C(F)(F)F)c1 13
3g6h_ligand_2_54.mol2 3g6h 0.659574 -7.14 NC(=O)c1cc(ccc1)C(F)(F)F 13
272 , 28