SMILES:
N#Cc1ccccc1-c1ccc(C(=O)O)c(NCCc2cccc(F)c2)n1Molecular Processing
Molecular formula
C21H16FN3O2
Molecular weight
361.38
Exact mass
361.1227
XLogP
4.11
TPSA
86.01
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
99.94
Supplementary Information
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