FLUBROBENGUANE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XCG95AYX3B

Structure
InChI Key ZYULQCDNUYJBRI-UHFFFAOYSA-N
Smile N=C(N)NCc1ccc(OCCCF)c(Br)c1
InChI
InChI=1S/C11H15BrFN3O/c12-9-6-8(7-16-11(14)15)2-3-10(9)17-5-1-4-13/h2-3,6H,1,4-5,7H2,(H4,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15BrFN3O
Molecular Weight 304.16
AlogP 2.17
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 71.13
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEMBL CHEMBL4300856
FDA SRS XCG95AYX3B
PubChem 59470534
SureChEMBL SCHEMBL10305089
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