SMILES:
CC1Cc2c(N3CCNC(=O)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23Molecular Processing
Molecular formula
C17H16FN3O4
Molecular weight
345.33
Exact mass
345.1125
XLogP
0.89
TPSA
91.64
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
88.76
Supplementary Information
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