Nombre: N-(2-aminoethyl)-5-isoquinolinesulfonamide
SMILES:
NCCNS(=O)(=O)c1cccc2cnccc12Molecular Processing
Molecular formula
C11H13N3O2S
Molecular weight
251.31
Exact mass
251.0728
XLogP
0.47
TPSA
85.08
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
65.99
Supplementary Information
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