SMILES:
Cc1c(C2=CC(O)CC2)c(F)c2oc(C3CC3)nc2c1C#NMolecular Processing
Molecular formula
C17H15FN2O2
Molecular weight
298.32
Exact mass
298.1118
XLogP
3.56
TPSA
70.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
78.61
Supplementary Information
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