名称: (3R,2RS)-3-amino-4-(4-pyridinyl)-2-butanol
SMILES:
CC(O)[C@H](N)Cc1ccncc1Molecular Processing
Molecular formula
C9H14N2O
Molecular weight
166.22
Exact mass
166.1106
XLogP
0.33
TPSA
59.14
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
47.6
Supplementary Information
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