Name: 1-[3-(4-iodo-phenyl)-prop-2-ynyl]-pyrrolidine
SMILES:
Ic1ccc(C#CCN2CCCC2)cc1Molecular Processing
Molecular formula
C13H14IN
Molecular weight
311.17
Exact mass
311.0171
XLogP
2.74
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
71.71
Supplementary Information
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