이름: 2-Sulfo-2-(1-pyrryl)acetic acid
SMILES:
O=C(O)C(n1cccc1)S(=O)(=O)OMolecular Processing
Molecular formula
C6H7NO5S
Molecular weight
205.19
Exact mass
205.0045
XLogP
-0.04
TPSA
96.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
42.65
Supplementary Information
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