SMILES:
CCCCOC(=O)N=C1SCCN1c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C15H17F3N2O2S
Molecular weight
346.37
Exact mass
346.0963
XLogP
4.55
TPSA
41.9
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
84.94
Supplementary Information
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