SMILES:
COc1cc(-c2cncc(F)c2C(C)O)ccc1C#NMolecular Processing
Molecular formula
C15H13FN2O2
Molecular weight
272.28
Exact mass
272.0961
XLogP
2.82
TPSA
66.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
71.53
Supplementary Information
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