Name: 2-methylpenam
SMILES:
CC1CN2C(=O)C[C@H]2S1Molecular Processing
Molecular formula
C6H9NOS
Molecular weight
143.21
Exact mass
143.0405
XLogP
0.68
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
37.17
Supplementary Information
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