Status: Phase 3
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure

InChI Key HNPHEZIYSZIWHH-UHFFFAOYSA-N
Smile N=C(N)NCc1cccc(F)c1
InChI
InChI=1S/C8H10FN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10FN3
Molecular Weight 167.19
AlogP 0.81
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 61.9
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
ChEMBL CHEMBL111272
SureChEMBL SCHEMBL4335223
ZINC ZINC000006535008