8-CHLOROADENOSINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII PA05MFH3I7

Structure

InChI Key MHDPPLULTMGBSI-UUOKFMHZSA-N
Smiles Nc1ncnc2c1nc(Cl)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI
InChI=1S/C10H12ClN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12ClN5O4
Molecular Weight 301.69
AlogP -1.33
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 139.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4594396
FDA SRS PA05MFH3I7
PubChem 147569
SureChEMBL SCHEMBL987728
ZINC ZINC000003963660
CONTENTS