SMILES:
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(-n4nn[nH]c4=O)cn1c23Molecular Processing
Molecular formula
C18H20FN7O3
Molecular weight
401.4
Exact mass
401.1612
XLogP
0.11
TPSA
101.28
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
103.62
Supplementary Information
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