CCc1c(N[C@@H]2CC[C@@H](O)[C@@]2(C)O)ccc(C#N)c1Cl
SMILES: CCc1c(N[C@@H]2CC[C@@H](O)[C@@]2(C)O)ccc(C#N)c1Cl

Molecular Processing

Molecular formula
C15H19ClN2O2
Molecular weight
294.78
Exact mass
294.1135
XLogP
2.46
TPSA
76.28
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
78.82

Supplementary Information

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