COC(=O)C1(CO)CCC(c2ccc(OCc3ccccc3F)cc2)N1C(=O)OC(C)(C)C
SMILES: COC(=O)C1(CO)CCC(c2ccc(OCc3ccccc3F)cc2)N1C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C25H30FNO6
Molecular weight
459.51
Exact mass
459.2057
XLogP
4.38
TPSA
85.3
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
119.05

Supplementary Information

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