Common name
(NE)-N-[1-(4-chlorophenyl)propylidene]hydroxylamine
IUPAC name
(NE)-N-[1-(4-chlorophenyl)propylidene]hydroxylamine
SMILES
c1(ccc(cc1)Cl)/C(=N/O)/CC
Common name
(NE)-N-[1-(4-chlorophenyl)propylidene]hydroxylamine
IUPAC name
(NE)-N-[1-(4-chlorophenyl)propylidene]hydroxylamine
SMILES
c1(ccc(cc1)Cl)/C(=N/O)/CC
INCHI
InChI=1S/C9H10ClNO/c1-2-9(11-12)7-3-5-8(10)6-4-7/h3-6,12H,2H2,1H3/b11-9+
FORMULA
C9H10ClNO
Common name
(NE)-N-[1-(4-chlorophenyl)propylidene]hydroxylamine
IUPAC name
(NE)-N-[1-(4-chlorophenyl)propylidene]hydroxylamine
Molecular weight
183.635
clogP
2.826
clogS
-2.718
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
32.59
Number of Rings
1
Rotatable Bond
2
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gv1_ligand_3_1.mol2 | 4gv1 | 0.632653 | -6.02 | Clc1ccc(cc1)CCCO | 11 |
| 3mt8_ligand_1_3.mol2 | 3mt8 | 0.6 | -7.12 | Clc1ccc(cc1)C=N | 9 |
| 3m67_ligand_2_7.mol2 | 3m67 | 0.591837 | -6.87 | [C@@H](O)(C)c1ccc(cc1)Cl | 10 |
| 3gw5_ligand_2_1.mol2 | 3gw5 | 0.574074 | -7.07 | CC[C@@H](O)c1cccc(c1)Cl | 11 |
| 3db8_ligand_3_27.mol2 | 3db8 | 0.54717 | -6.27 | c1c(cc(cc1)Cl)CCCO | 11 |
| 3gs7_ligand_2_4.mol2 | 3gs7 | 0.533333 | -6.66 | c1ccccc1/C=N\O | 9 |
| 1yt9_ligand_1_13.mol2 | 1yt9 | 0.533333 | -6.56 | N(=C\c1ccccc1)/O | 9 |
265 ,
27
