Name: 4-pyrrolidin-3-ylsulfonylphenol
SMILES:
C1CNCC1S(=O)(=O)C2=CC=C(C=C2)OMolecular Processing
Molecular formula
C10H13NO3S
Molecular weight
227.28
Exact mass
227.0616
XLogP
0.53
TPSA
66.4
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
56.57
Supplementary Information
InChIKey: XAKZDBILZWTRJD-UHFFFAOYSA-N
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