名称: (1S*,2R*)-2-[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-5-yl]cyclopentanol
SMILES:
O[C@H]1CCC[C@@H]1c1ccnn1C1CCCCO1Molecular Processing
Molecular formula
C13H20N2O2
Molecular weight
236.31
Exact mass
236.1525
XLogP
2.21
TPSA
47.28
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
63.67
Supplementary Information
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