이름: 6-(1-methyl-1H-pyrazol-4-yl)spiro[chroman-2,4′-piperidin]-4-one hydrochloride
SMILES:
Cl.Cn1cc(-c2ccc3c(c2)C(=O)CC2(CCNCC2)O3)cn1Molecular Processing
Molecular formula
C17H20ClN3O2
Molecular weight
333.82
Exact mass
333.1244
XLogP
2.6
TPSA
56.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.412
Molar refractivity
90.3
Supplementary Information
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