SMILES:
N[C@H](C(=O)O)C12CC3CC(CC(O)(C3)C1)C2Molecular Processing
Molecular formula
C12H19NO3
Molecular weight
225.29
Exact mass
225.1365
XLogP
0.73
TPSA
83.55
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
57.68
Supplementary Information
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