名称: 3-chloro-6-(1H-pyrazol-4-yl)isoquinoline
SMILES:
Clc1cc2cc(-c3cn[nH]c3)ccc2cn1Molecular Processing
Molecular formula
C12H8ClN3
Molecular weight
229.67
Exact mass
229.0407
XLogP
3.28
TPSA
41.57
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
64.33
Supplementary Information
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