Nombre: βAla-His
SMILES:
NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OMolecular Processing
Molecular formula
C9H14N4O3
Molecular weight
226.24
Exact mass
226.1066
XLogP
-1.13
TPSA
121.1
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
55.53
Supplementary Information
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