SMILES:
CCc1c(N[C@H]2CCCC2(C)O)ccc(C#N)c1ClMolecular Processing
Molecular formula
C15H19ClN2O
Molecular weight
278.78
Exact mass
278.1186
XLogP
3.49
TPSA
56.05
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
77.43
Supplementary Information
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