SMILES:
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3CC[N+](C)(C)CC3)C[C@H]12Molecular Processing
Molecular formula
C16H24N2O4S
Molecular weight
340.45
Exact mass
340.1457
XLogP
-0.47
TPSA
80.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
84.91
Supplementary Information
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