FIACITABINE

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Synonyms
Status
Molecule Category Free-form
UNII 4058H365ZB
EPA CompTox DTXSID8057807

Structure

InChI Key GIMSJJHKKXRFGV-BYPJNBLXSA-N
Smiles Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I
InChI
InChI=1S/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11FIN3O4
Molecular Weight 371.11
AlogP -0.98
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 110.6
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL272557
DrugBank DB12901
FDA SRS 4058H365ZB
PubChem 50312
SureChEMBL SCHEMBL138934
ZINC ZINC000017142919
CONTENTS