SMILES:
O=C(OC1CCNCC1)C(O)(c1ccc(Cl)cc1)C1CCC(F)(F)C1Molecular Processing
Molecular formula
C18H22ClF2NO3
Molecular weight
373.83
Exact mass
373.1256
XLogP
3.26
TPSA
58.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
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
0.611
Molar refractivity
89.62
Supplementary Information
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