Name: 5-(3-Azetidinyloxy)-isoquinoline dihydrochloride
SMILES:
Cl.Cl.c1cc(OC2CNC2)c2ccncc2c1Molecular Processing
Molecular formula
C12H14Cl2N2O
Molecular weight
273.16
Exact mass
272.0483
XLogP
2.43
TPSA
34.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
3
Fraction Csp3
0.25
Molar refractivity
73.52
Supplementary Information
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