Name: methyl 1-benzyl-4-(3-hydroxy-1-propin-1-yl)-1,2,5,6-tetrahydropyridine-3-carboxylate
SMILES:
COC(=O)C1=C(C#CCO)CCN(Cc2ccccc2)C1Molecular Processing
Molecular formula
C17H19NO3
Molecular weight
285.34
Exact mass
285.1365
XLogP
1.36
TPSA
49.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
80.24
Supplementary Information
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