SMILES:
Nc1c2c(nc3cccc(O)c13)CCCC2Molecular Processing
Molecular formula
C13H14N2O
Molecular weight
214.27
Exact mass
214.1106
XLogP
2.4
TPSA
59.14
H-bond donors
2
H-bond acceptors
3
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
1
Fraction Csp3
0.308
Molar refractivity
64.46
Supplementary Information
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