SMILES:
C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](n2ccnc2)C1Molecular Processing
Molecular formula
C13H20N2O
Molecular weight
220.32
Exact mass
220.1576
XLogP
2.55
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
64.04
Supplementary Information
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