SMILES:
Fc1cccc(F)c1-c1cc2c3c(c1)C1CNCCC1N3CCSC2Molecular Processing
Molecular formula
C20H20F2N2S
Molecular weight
358.46
Exact mass
358.1315
XLogP
4.14
TPSA
15.27
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
25
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
99.32
Supplementary Information
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