URETHANE

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Synonyms
Status
Molecule Category Free-form
UNII 3IN71E75Z5
EPA CompTox DTXSID9021427

Structure

InChI Key JOYRKODLDBILNP-UHFFFAOYSA-N
Smiles CCOC(N)=O
InChI
InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7NO2
Molecular Weight 89.09
AlogP 0.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 52.32
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 6.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101.57-109.12
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 101.57-109.12

Cross References

Resources Reference
ChEBI 17967
ChEMBL CHEMBL462547
DrugBank DB04827
FDA SRS 3IN71E75Z5
Human Metabolome Database HMDB0031219
KEGG C01537
PubChem 5641
SureChEMBL SCHEMBL8136
ZINC ZINC000000901020
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