MEPHOBARBITAL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5NC67NU76B

Structure
InChI Key ALARQZQTBTVLJV-UHFFFAOYSA-N
Smile CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
InChI
InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14N2O3
Molecular Weight 246.27
AlogP 1.04
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 66.48
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 6758
ChEMBL CHEMBL45029
DrugBank DB00849
DrugCentral 1696
EPA CompTox DTXSID4023258
FDA SRS 5NC67NU76B
Human Metabolome Database HMDB0014987
KEGG C07829
PharmGKB PA450374
PubChem 8271
SureChEMBL SCHEMBL35624
CONTENTS