Name: 1-chloro-4-[2-(6-methyl-pyridin-3-yl)-ethyl]-isoquinoline
SMILES:
Cc1ccc(CCc2cnc(Cl)c3ccccc23)cn1Molecular Processing
Molecular formula
C17H15ClN2
Molecular weight
282.77
Exact mass
282.0924
XLogP
4.38
TPSA
25.78
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
83.14
Supplementary Information
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