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The molecular formula is C10H11FN4O.
The molecular weight is 222.22 g/mol.
The IUPAC name is (2S)-2-(azidomethyl)-3-(4-fluorophenyl)propanamide.
The InChI is InChI=1S/C10H11FN4O/c11-9-3-1-7(2-4-9)5-8(10(12)16)6-14-15-13/h1-4,8H,5-6H2,(H2,12,16)/t8-/m0/s1.
The InChIKey is YMOAZPMIORYMGP-QMMMGPOBSA-N.
The canonical SMILES is C1=CC(=CC=C1CC(CN=[N+]=[N-])C(=O)N)F.
The isomeric SMILES is C1=CC(=CC=C1C[C@@H](CN=[N+]=[N-])C(=O)N)F.
The XLogP3-AA value is 2.1.
There is 1 hydrogen bond donor count.
There are 4 hydrogen bond acceptor counts.
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