Nombre: Compound 52
SMILES:
CC(C)(C)OC(=O)N1Cc2cn[nH]c2CC1c1ccccc1Molecular Processing
Molecular formula
C17H21N3O2
Molecular weight
299.37
Exact mass
299.1634
XLogP
3.44
TPSA
58.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
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
0.412
Molar refractivity
83.25
Supplementary Information
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