SMILES:
Cc1c(-c2cccc(F)c2F)c(F)c2oc(C3CC3)nc2c1C#NMolecular Processing
Molecular formula
C18H11F3N2O
Molecular weight
328.29
Exact mass
328.0823
XLogP
4.97
TPSA
49.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
80.75
Supplementary Information
Details werden geladen…
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