SMILES:
COC(=O)c1ccc2nc(NCC3(F)CCN(Cc4cc(Cl)cc(Cl)c4O)CC3)[nH]c2c1Molecular Processing
Molecular formula
C22H23Cl2FN4O3
Molecular weight
481.36
Exact mass
480.1131
XLogP
4.78
TPSA
90.48
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
122.4
Supplementary Information
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