SMILES:
O=C(O)CCSC1c2ccccc2COc2ccc(OCc3ccc4cc(F)c(Cl)cc4n3)cc21Molecular Processing
Molecular formula
C27H21ClFNO4S
Molecular weight
509.99
Exact mass
509.0864
XLogP
6.8
TPSA
68.65
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
134.81
Supplementary Information
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