SZE
- Molecular formula
- C10 H12 F N3 O
- Molecular weight (g/mol)
- 209.22
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one
- SMILES
- CN1CCN(CC1=O)c2c(cccn2)F
- Isomeric SMILES
- CN1CC[N@](CC1=O)c2c(cccn2)F
- InChI
- InChI=1S/C10H12FN3O/c1-13-5-6-14(7-9(13)15)10-8(11)3-2-4-12-10/h2-4H,5-7H2,1H3
- InChIKey
- LOFSFVFRUNIULW-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 3
- HBD
- 0
- TPSA (Ų)
- 36.44
- cLogP
- 0.5
- Chiral atoms
- 0
- Molar refractivity
- 54.05
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.4
- Formal charge
- 0
Calculated properties
QED0.675
NPScore-0.408699223
SAScore7.00882401