名称: 4-hydroxy-6-isopropyl-6-(2-pyridin-3-yl-ethyl)-5,6-dihydro-pyran-2-one
SMILES:
CC(C)C1(CCc2cccnc2)CC(O)=CC(=O)O1Molecular Processing
Molecular formula
C15H19NO3
Molecular weight
261.32
Exact mass
261.1365
XLogP
2.8
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
71.55
Supplementary Information
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