SMILES:
COc1c(C(C#N)C2CC2)ncc(F)c1ClMolecular Processing
Molecular formula
C11H10ClFN2O
Molecular weight
240.66
Exact mass
240.0466
XLogP
2.9
TPSA
45.91
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
56.84
Supplementary Information
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