Structure

InChI Key OSASVXMJTNOKOY-UHFFFAOYSA-N
Smile CC(C)(O)C(Cl)(Cl)Cl
InChI
InChI=1S/C4H7Cl3O/c1-3(2,8)4(5,6)7/h8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Cl3O
Molecular Weight 177.46
AlogP 2.13
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 8.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 134813
ChEMBL CHEMBL1439973
DrugBank DB11386
DrugCentral 3092
EPA CompTox DTXSID1041217
FDA SRS HM4YQM8WRC
PubChem 5977
SureChEMBL SCHEMBL1040
ZINC ZINC000001482005