SMILES:
Nc1c2c(nc3ccccc13)CCCC2.OMolecular Processing
Molecular formula
C13H16N2O
Molecular weight
216.28
Exact mass
216.1263
XLogP
1.87
TPSA
70.41
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.308
Molar refractivity
66.41
Supplementary Information
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