HWH
- Molecular formula
- C12 H13 F N2 O
- Molecular weight (g/mol)
- 220.25
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
- SMILES
- CC(=O)NCCc1c[nH]c2c1cc(cc2)F
- Isomeric SMILES
- CC(=O)NCCc1c[nH]c2c1cc(cc2)F
- InChI
- InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
- InChIKey
- UDLASALUJLTGJV-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 1
- HBD
- 2
- TPSA (Ų)
- 44.89
- cLogP
- 1.99
- Chiral atoms
- 0
- Molar refractivity
- 60.64
- Rings
- 2
- Aromatic rings
- 2
- Fraction Csp³
- 0.25
- Formal charge
- 0
Calculated properties
QED0.816
NPScore-0.281749101
SAScore7.245186075