O=C(O)c1cn(C2CC2)c2cc(N3CC4CC4C3)c(F)cc2c1=O
SMILES: O=C(O)c1cn(C2CC2)c2cc(N3CC4CC4C3)c(F)cc2c1=O

Molecular Processing

Molecular formula
C18H17FN2O3
Molecular weight
328.34
Exact mass
328.1223
XLogP
2.63
TPSA
62.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
87.21

Supplementary Information

Details werden geladen…

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