SMILES:
CC12C=CC(=O)C=C1C(F)CC1C3CC4CN(Cc5ccccc5)CC4(C(=O)O)C3(C)CC(O)C12FMolecular Processing
Molecular formula
C29H33F2NO4
Molecular weight
497.58
Exact mass
497.2378
XLogP
4.12
TPSA
77.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
36
Rings
6
Aromatic rings
1
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.586
Molar refractivity
129.29
Supplementary Information
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