SMILES:
CC(=O)NCC1CN(c2ccc(N3CCC(O)(CCl)CC3)c(F)c2)C(=O)O1Molecular Processing
Molecular formula
C18H23ClFN3O4
Molecular weight
399.85
Exact mass
399.1361
XLogP
1.86
TPSA
82.11
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
99.82
Supplementary Information
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