SMILES:
Cl.O=S(=O)(c1cccc(F)c1)c1ccc(C2CCNC2)c(OCCO)c1Molecular Processing
Molecular formula
C18H21ClFNO4S
Molecular weight
401.89
Exact mass
401.0864
XLogP
2.53
TPSA
75.63
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
98.35
Supplementary Information
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