Name: title product
SMILES:
COC1=NC(Cc2ccco2)CCCC1Molecular Processing
Molecular formula
C12H17NO2
Molecular weight
207.27
Exact mass
207.1259
XLogP
2.81
TPSA
34.73
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
59.11
Supplementary Information
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