SMILES:
CCC1(c2ccnc(OC)c2)OCCCO1Molecular Processing
Molecular formula
C12H17NO3
Molecular weight
223.27
Exact mass
223.1208
XLogP
2.09
TPSA
40.58
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
59.28
Supplementary Information
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