SMILES:
CC(C)Oc1ccc(F)c(F)c1C1NC(=S)CC(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12Molecular Processing
Molecular formula
C27H22Cl2F2N2O2S
Molecular weight
547.45
Exact mass
546.0747
XLogP
7.09
TPSA
50.36
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
141.17
Supplementary Information
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