Nombre: hydroxy-[4-(4-isopropyl-piperazine-1-carbonyl)-phenyl]-methanesulfonic acid sodium salt
SMILES:
CC(C)N1CCN(C(=O)c2ccc(C(O)S(=O)(=O)[O-])cc2)CC1.[Na+]Molecular Processing
Molecular formula
C15H21N2NaO5S
Molecular weight
364.4
Exact mass
364.1069
XLogP
-2.61
TPSA
100.98
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.533
Molar refractivity
83.71
Supplementary Information
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