SMILES:
CCOc1cc2c(nc1Cl)N1[C@@H](CNC[C@H]1C)C2Molecular Processing
Molecular formula
C13H18ClN3O
Molecular weight
267.76
Exact mass
267.1138
XLogP
1.86
TPSA
37.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
72.72
Supplementary Information
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