SMILES:
COC(=O)c1cncn1C1c2cccc(Cl)c2CC1(C)CMolecular Processing
Molecular formula
C16H17ClN2O2
Molecular weight
304.78
Exact mass
304.0979
XLogP
3.49
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
80.64
Supplementary Information
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