Common name
cyanic acid
IUPAC name
cyanic acid
SMILES
C(#N)O
Common name
cyanic acid
IUPAC name
cyanic acid
SMILES
C(#N)O
INCHI
InChI=1S/CHNO/c2-1-3/h3H
FORMULA
CHNO
Common name
cyanic acid
IUPAC name
cyanic acid
Molecular weight
43.025
clogP
-0.415
clogS
0.848
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
44.02
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02578 | potassium cyanate |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5bpe_ligand_frag_11.mol2 | 5bpe | 0.285714 | -5.07 | C(O)C#N | 4 |
| 5ap1_ligand_1_0.mol2 | 5ap1 | 0.285714 | -5.01 | OCC#N | 4 |
| 5ap4_ligand_1_0.mol2 | 5ap4 | 0.285714 | -4.98 | N#CCO | 4 |
| 4gj7_ligand_1_11.mol2 | 4gj7 | 0.25 | -5.42 | O(C)C | 3 |
| 2v0z_ligand_1_0.mol2 | 2v0z | 0.25 | -5.41 | COC | 3 |
| 4ryc_ligand_1_11.mol2 | 4ryc | 0.25 | -5.40 | O(C)C | 3 |
244 ,
25
