Responsive image

Common name

oxalonitrile

IUPAC name

oxalonitrile

SMILES

C(#N)C#N

Common name

oxalonitrile

IUPAC name

oxalonitrile

SMILES

C(#N)C#N

INCHI

InChI=1S/C2N2/c3-1-2-4

FORMULA

C2N2

Responsive image

Common name

oxalonitrile

IUPAC name

oxalonitrile





Molecular weight

52.035

clogP

-0.383

clogS

0.150

Frequency

0.0010





HBond Acceptor

2

HBond Donor

0

Total Polar
Surface Area

47.58

Number of Rings

0

Rotatable Bond

1

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01942 cyanogen Responsive image Insecticide Insecticide
FDBD02555 cyanogen Responsive image Herbicide Herbicide
FDBD03121 cyanogen Responsive image Fungicide Fungicide
3 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4k2f_ligand_frag_1.mol2 4k2f 0.75 -5.63 CC#N 3
4k2g_ligand_frag_2.mol2 4k2g 0.75 -5.60 CC#N 3
1h07_ligand_frag_3.mol2 1h07 0.75 -5.50 C(#N)C 3
2iw6_ligand_frag_3.mol2 2iw6 0.75 -5.44 CC#N 3
2b5j_ligand_frag_5.mol2 2b5j 0.75 -5.43 CC#N 3
1x78_ligand_frag_1.mol2 1x78 0.75 -5.41 CC#N 3
1x7e_ligand_frag_1.mol2 1x7e 0.75 -5.37 CC#N 3
3fup_ligand_frag_1.mol2 3fup 0.75 -5.37 CC#N 3
100 , 11