SMILES:
Nc1nn2cccnc2c1C(=O)Nc1cn(CC(=O)O)nc1-c1cc(Cl)ccc1OC(F)FMolecular Processing
Molecular formula
C19H14ClF2N7O4
Molecular weight
477.82
Exact mass
477.0764
XLogP
2.77
TPSA
149.66
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
112.29
Supplementary Information
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