SMILES:
CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2C[C@@H]4C)CCN1.CS(=O)(=O)OMolecular Processing
Molecular formula
C19H24FN3O6S
Molecular weight
441.48
Exact mass
441.137
XLogP
1.26
TPSA
128.94
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.474
Molar refractivity
110.69
Supplementary Information
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