Common name
nitromethane
IUPAC name
nitromethane
SMILES
CN(=O)=O
Common name
nitromethane
IUPAC name
nitromethane
SMILES
CN(=O)=O
INCHI
InChI=1S/CH3NO2/c1-2(3)4/h1H3
FORMULA
CH3NO2
Common name
nitromethane
IUPAC name
nitromethane
Molecular weight
61.040
clogP
-0.663
clogS
0.045
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
34.14
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03249 | fenitropan |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fx6_ligand_frag_4.mol2 | 3fx6 | 1 | -5.35 | CN(=O)=O | 4 |
| 3b7u_ligand_frag_0.mol2 | 3b7u | 0.428571 | -5.61 | O=CN=O | 4 |
143 ,
15
