Nombre: 1-thiomorpholino-3,5-dichloro-isoquinoline
SMILES:
Clc1cc2c(Cl)cccc2c(N2CCSCC2)n1Molecular Processing
Molecular formula
C13H12Cl2N2S
Molecular weight
299.23
Exact mass
298.0098
XLogP
4.09
TPSA
16.13
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
81.3
Supplementary Information
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