SMILES:
CC1Cc2c(N3CCCC3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23Molecular Processing
Molecular formula
C17H18FN3O3
Molecular weight
331.35
Exact mass
331.1332
XLogP
2.14
TPSA
88.56
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
24
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
0.412
Molar refractivity
89.4
Supplementary Information
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