SMILES:
CC1Cc2c(N3CCCCC3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23Molecular Processing
Molecular formula
C18H20FN3O3
Molecular weight
345.37
Exact mass
345.1489
XLogP
2.53
TPSA
88.56
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
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
94.02
Supplementary Information
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