SMILES:
CSc1cn(-c2ccc(N3CC(CO)OC3=O)cc2F)nn1Molecular Processing
Molecular formula
C13H13FN4O3S
Molecular weight
324.34
Exact mass
324.0692
XLogP
1.45
TPSA
80.48
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
77.8
Supplementary Information
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