SMILES:
Cc1cnc(C2CN(CC(F)(F)F)CC3(CCNCC3)O2)s1.ClMolecular Processing
Molecular formula
C14H21ClF3N3OS
Molecular weight
371.86
Exact mass
371.1046
XLogP
2.93
TPSA
37.39
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.786
Molar refractivity
85.25
Supplementary Information
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