이름: 3-(3-piperidin-1-yl-propoxy)-isoxazole-5-carboxylic acid methyl ester
SMILES:
COC(=O)c1cc(OCCCN2CCCCC2)no1Molecular Processing
Molecular formula
C13H20N2O4
Molecular weight
268.31
Exact mass
268.1423
XLogP
1.72
TPSA
64.8
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
68.25
Supplementary Information
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