이름: product
SMILES:
CC(C)(C)[C@@H](C(=O)O)N1CCN(Cc2ccccc2)C1=OMolecular Processing
Molecular formula
C16H22N2O3
Molecular weight
290.36
Exact mass
290.163
XLogP
2.42
TPSA
60.85
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
79.83
Supplementary Information
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