이름: p-toluenesulfonate
SMILES:
C=C1CCN([C@H](C)[C@@](Cn2cncn2)(OS(=O)(=O)c2ccc(C)cc2)c2ccc(F)cc2F)CC1Molecular Processing
Molecular formula
C25H28F2N4O3S
Molecular weight
502.59
Exact mass
502.185
XLogP
4.21
TPSA
77.32
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
126.92
Supplementary Information
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