SMILES:
Nc1c2c(nc3cc(F)ccc13)CCCC2OMolecular Processing
Molecular formula
C13H13FN2O
Molecular weight
232.26
Exact mass
232.1012
XLogP
2.33
TPSA
59.14
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
64.01
Supplementary Information
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