Name: penicillanic acid
SMILES:
CC1(C)S[C@@H]2CC(=O)N2[C@H]1C(=O)OMolecular Processing
Molecular formula
C8H11NO3S
Molecular weight
201.25
Exact mass
201.046
XLogP
0.52
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
48.34
Supplementary Information
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