SMILES:
CN1CCN(CC#Cc2cc3nccc(Oc4ccc(N)cc4F)c3s2)CC1Molecular Processing
Molecular formula
C21H21FN4OS
Molecular weight
396.49
Exact mass
396.142
XLogP
3.41
TPSA
54.62
H-bond donors
1
H-bond acceptors
6
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
0.286
Molar refractivity
111.32
Supplementary Information
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