SMILES:
OCCC1CC1C1CCN(c2ncc(Cl)cn2)CC1Molecular Processing
Molecular formula
C14H20ClN3O
Molecular weight
281.79
Exact mass
281.1295
XLogP
2.36
TPSA
49.25
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
75.28
Supplementary Information
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