SMILES:
COc1c(N2C=CN=CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12Molecular Processing
Molecular formula
C18H16FN3O4
Molecular weight
357.34
Exact mass
357.1125
XLogP
2.54
TPSA
84.13
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
94.93
Supplementary Information
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