SMILES:
COC(=O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(O)(c4cccc(F)c4)C3)CC2)cc1Molecular Processing
Molecular formula
C26H23ClFN3O4
Molecular weight
495.94
Exact mass
495.1361
XLogP
3.79
TPSA
91.76
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
127.92
Supplementary Information
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