SMILES:
C[C@@H](S[C@H]1CO[C@H](c2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1FMolecular Processing
Molecular formula
C30H26ClF2N5O4S
Molecular weight
626.09
Exact mass
625.1362
XLogP
5.46
TPSA
122.29
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
156.32
Supplementary Information
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