| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UKNOWN |
| UNII: | U21CVV13SV |
Structure
| InChI Key | KECBLXVYTIVCTG-SECBINFHSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H13IN2O2 |
| Molecular Weight | 356.16 |
| AlogP | 2.88 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 44.12 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL260402 |
| DrugBank | DB13021 |
| EPA CompTox | DTXSID50231064 |
| FDA SRS | U21CVV13SV |
| SureChEMBL | SCHEMBL4870043 |
CONTENTS