SMILES:
CCN1CCC(OC(=O)C(O)(c2ccc(Cl)cc2)C2CCC(F)(F)C2)CC1Molecular Processing
Molecular formula
C20H26ClF2NO3
Molecular weight
401.88
Exact mass
401.1569
XLogP
3.99
TPSA
49.77
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
98.86
Supplementary Information
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