MOLNUPIRAVIR

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Synonyms
Status
Molecule Category Free-form
UNII YA84KI1VEW

Structure

InChI Key HTNPEHXGEKVIHG-QCNRFFRDSA-N
Smiles CC(C)C(=O)OC[C@H]1O[C@@H](n2cc/c(=N\O)[nH]c2=O)[C@H](O)[C@@H]1O
InChI
InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19N3O7
Molecular Weight 329.31
AlogP -1.72
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 146.37
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL4650320
FDA SRS YA84KI1VEW
CONTENTS