SMILES:
O=C(Cn1cc(Cl)c(-c2ccc(Cl)s2)n1)N1CCN(c2ccc(F)cc2)CC1Molecular Processing
Molecular formula
C19H17Cl2FN4OS
Molecular weight
439.34
Exact mass
438.0484
XLogP
4.41
TPSA
41.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
110.75
Supplementary Information
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