SMILES:
O=C1O[C@@H](CNc2ccon2)CN1c1ccc(-n2ccnc2)c(F)c1Molecular Processing
Molecular formula
C16H14FN5O3
Molecular weight
343.32
Exact mass
343.1081
XLogP
2.44
TPSA
85.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
86.13
Supplementary Information
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