SMILES:
C[C@H](NC(=O)C1(C)CC1)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccc2c(c1)OCCO2Molecular Processing
Molecular formula
C29H28FN3O4
Molecular weight
501.56
Exact mass
501.2064
XLogP
5.36
TPSA
74.61
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
37
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
136.77
Supplementary Information
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