Responsive image

Common name

2-hydroxyacetonitrile

IUPAC name

2-hydroxyacetonitrile

SMILES

OCC#N

Common name

2-hydroxyacetonitrile

IUPAC name

2-hydroxyacetonitrile

SMILES

OCC#N

INCHI

InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2

FORMULA

C2H3NO

Responsive image

Common name

2-hydroxyacetonitrile

IUPAC name

2-hydroxyacetonitrile





Molecular weight

57.051

clogP

-0.510

clogS

0.389

Frequency

0.0003





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

44.02

Number of Rings

0

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD02957 zarilamid Responsive image Fungicide Fungicide
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
5bpe_ligand_frag_11.mol2 5bpe 1 -5.07 C(O)C#N 4
5ap1_ligand_1_0.mol2 5ap1 1 -5.01 OCC#N 4
5ap4_ligand_1_0.mol2 5ap4 1 -4.98 N#CCO 4
4fc0_ligand_1_5.mol2 4fc0 0.75 -5.85 C(C)(C)(C#N)O 6
5bpe_ligand_1_8.mol2 5bpe 0.75 -5.39 C[C@@H](O)C#N 5
5bpe_ligand_2_49.mol2 5bpe 0.545455 -5.51 C(C)[C@@H](O)C#N 6
2reg_ligand_1_0.mol2 2reg 0.5 -5.87 C(O)C 3
2319 , 232