Nombre: 1-{[4-(aminomethyl)piperidin-1-yl]methyl}cyclopentanecarboxylic acid 4-methylbenzene sulfonate
SMILES:
Cc1ccc(S(=O)(=O)O)cc1.NCC1CCN(CC2(C(=O)O)CCCC2)CC1Molecular Processing
Molecular formula
C20H32N2O5S
Molecular weight
412.55
Exact mass
412.2032
XLogP
2.54
TPSA
120.93
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.65
Molar refractivity
107.75
Supplementary Information
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