LXA
- Molecular formula
- C11 H13 N3 O2
- Molecular weight (g/mol)
- 219.24
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
- SMILES
- COCC(=O)NCc1[nH]c2ccccc2n1
- Isomeric SMILES
- COCC(=O)NCc1[nH]c2ccccc2n1
- InChI
- InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)
- InChIKey
- LZINBAGZNCYRNQ-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 3
- HBD
- 2
- TPSA (Ų)
- 67.01
- cLogP
- 0.83
- Chiral atoms
- 0
- Molar refractivity
- 59.82
- Rings
- 2
- Aromatic rings
- 2
- Fraction Csp³
- 0.27
- Formal charge
- 0
Calculated properties
QED0.8
NPScore-0.362355155
SAScore7.229665132