名称: ( 1 )
SMILES:
C=CCO[C@@H]1C[C@H](N)c2cc(OCCC)ccc21Molecular Processing
Molecular formula
C15H21NO2
Molecular weight
247.34
Exact mass
247.1572
XLogP
3.12
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
72.66
Supplementary Information
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