Nombre: 3-Ethyl-1-methyl-1,2,3,4-tetrahydro-isoquinoline
SMILES:
CCC1Cc2ccccc2C(C)N1Molecular Processing
Molecular formula
C12H17N
Molecular weight
175.27
Exact mass
175.1361
XLogP
2.67
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
55.78
Supplementary Information
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