SMILES:
COC(=O)COC(=O)c1ccccc1C1(Cl)CC(F)=C(NC(=S)N2CCCCN2)S1Molecular Processing
Molecular formula
C19H21ClFN3O4S2
Molecular weight
473.98
Exact mass
473.0646
XLogP
3.16
TPSA
79.9
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
116.29
Supplementary Information
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