SMILES:
N=C(NCc1ccc(F)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1Molecular Processing
Molecular formula
C21H21ClFN5
Molecular weight
397.89
Exact mass
397.147
XLogP
3.87
TPSA
55.25
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
111.51
Supplementary Information
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