SMILES:
CC(C)(C)[C@@H](C(=O)O)N1CCN(Cc2cccc(O)c2)C1=OMolecular Processing
Molecular formula
C16H22N2O4
Molecular weight
306.36
Exact mass
306.158
XLogP
2.13
TPSA
81.08
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
81.5
Supplementary Information
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