SMILES:
Cl.OC1(c2ccc3c(c2)OCO3)C(c2ccc(F)cc2)SC2=NCCCCN21Molecular Processing
Molecular formula
C20H20ClFN2O3S
Molecular weight
422.91
Exact mass
422.0867
XLogP
4.06
TPSA
54.29
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
28
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.35
Molar refractivity
108.68
Supplementary Information
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