Nombre: 2-(2-isothiocyanatoethyl)-1-methylpyrrolidine
SMILES:
CN1CCCC1CCN=C=SMolecular Processing
Molecular formula
C8H14N2S
Molecular weight
170.28
Exact mass
170.0878
XLogP
1.57
TPSA
15.6
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
50.16
Supplementary Information
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