Name: potassium penicillin V
SMILES:
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]Molecular Processing
Molecular formula
C16H17KN2O5S
Molecular weight
388.49
Exact mass
388.0495
XLogP
-3.63
TPSA
98.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.438
Molar refractivity
84.97
Supplementary Information
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