IUPAC name
N,N′-bis(2,2,2-trichloro-1-hydroxyethyl)urea
SMILES
C(C(Cl)(Cl)Cl)(NC(=O)NC(C(Cl)(Cl)Cl)O)O
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
dichloralurea
IUPAC name
N,N′-bis(2,2,2-trichloro-1-hydroxyethyl)urea
SMILES
C(C(Cl)(Cl)Cl)(NC(=O)NC(C(Cl)(Cl)Cl)O)O
INCHI
InChI=1S/C5H6Cl6N2O3/c6-4(7,8)1(14)12-3(16)13-2(15)5(9,10)11/h1-2,14-15H,(H2,12,13,16)
FORMULA
C5H6Cl6N2O3
Common name
dichloralurea
IUPAC name
N,N′-bis(2,2,2-trichloro-1-hydroxyethyl)urea
Molecular weight
354.831
clogP
2.032
clogS
-2.148
HBond Acceptor
4
HBond Donor
4
Total Polar Surface Area
85.08
Number of Rings
0
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF03052 | chloroform |
|
ClC(Cl)Cl | 0.0082 |
| FDBF04724 | 2,2,2-trichloroethanol |
|
C(O)C(Cl)(Cl)Cl | 0.0010 |
| FDBF05614 | N-(hydroxymethyl)formamide |
|
C(NC=O)O | 0.0027 |
| FDBF05974 | (1Z)-N-[(1S)-2,2,2-trichloro-1-hydroxyethyl]methanimidic acid |
|
C(Cl)(Cl)(Cl)[C@H](O)NC=O | 0.0007 |
| FDBF05977 | (1R)-1-amino-2,2,2-trichloroethanol |
|
C(Cl)(Cl)(Cl)[C@@H](O)N | 0.0003 |
6 ,
1
