Common name
(NE)-N-(1-phenylethylidene)hydroxylamine
IUPAC name
(NE)-N-(1-phenylethylidene)hydroxylamine
SMILES
C/C(=N\O)/c1ccccc1
Common name
(NE)-N-(1-phenylethylidene)hydroxylamine
IUPAC name
(NE)-N-(1-phenylethylidene)hydroxylamine
SMILES
C/C(=N\O)/c1ccccc1
INCHI
InChI=1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7+
FORMULA
C8H9NO
Common name
(NE)-N-(1-phenylethylidene)hydroxylamine
IUPAC name
(NE)-N-(1-phenylethylidene)hydroxylamine
Molecular weight
135.163
clogP
1.852
clogS
-1.514
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.59
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02989 | trifloxystrobin |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gs7_ligand_2_4.mol2 | 3gs7 | 0.827586 | -6.66 | c1ccccc1/C=N\O | 9 |
| 1yt9_ligand_1_13.mol2 | 1yt9 | 0.827586 | -6.56 | N(=C\c1ccccc1)/O | 9 |
| 2ycr_ligand_frag_4.mol2 | 2ycr | 0.793103 | -6.94 | c1ccc(cc1)C(=N)C | 9 |
| 2w7x_ligand_frag_1.mol2 | 2w7x | 0.793103 | -6.91 | c1ccc(cc1)C(=N)C | 9 |
| 2xk9_ligand_frag_1.mol2 | 2xk9 | 0.793103 | -6.88 | c1ccc(cc1)C(=N)C | 9 |
| 3gs7_ligand_3_6.mol2 | 3gs7 | 0.685714 | -6.67 | CO/N=C\c1ccccc1 | 10 |
| 2ycq_ligand_1_1.mol2 | 2ycq | 0.676471 | -7.14 | N/N=C(/c1ccccc1)\C | 10 |
| 2ycr_ligand_1_1.mol2 | 2ycr | 0.676471 | -6.79 | c1ccc(cc1)/C(=N/N)/C | 10 |
| 4bdb_ligand.mol2 | 4bdb | 0.659091 | -7.10 | O/N=C(\C)/c1c(O)cc(O)cc1 | 13 |
| 2ooz_ligand.mol2 | 2ooz | 0.648649 | -7.36 | Oc1ccc(cc1)/C=N/O | 11 |
1090 ,
110
