FLUCLORONIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: MG258KTA37

Structure
InChI Key NJNWEGFJCGYWQT-VSXGLTOVSA-N
Smile CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI
InChI=1S/C24H29Cl2FO5/c1-20(2)31-19-9-13-14-8-16(27)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-28/h5-7,13-14,16-17,19,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29Cl2FO5
Molecular Weight 487.4
AlogP 3.88
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 72.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 32.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135787
ChEMBL CHEMBL461332
DrugBank DB08973
DrugCentral 3232
FDA SRS MG258KTA37
PubChem 20054914
SureChEMBL SCHEMBL6701
ZINC ZINC000004213332
CONTENTS