SMILES:
CC(=O)NCC1CN(c2ccc(-n3cnc(CO)c3)c(F)c2)C(=O)O1Molecular Processing
Molecular formula
C16H17FN4O4
Molecular weight
348.33
Exact mass
348.1234
XLogP
0.96
TPSA
96.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
85.74
Supplementary Information
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