Name: 7-benzyl-1-bromo-4-hydroxy-isoquinoline-3-carboxylic acid methyl ester
SMILES:
COC(=O)c1nc(Br)c2cc(Cc3ccccc3)ccc2c1OMolecular Processing
Molecular formula
C18H14BrNO3
Molecular weight
372.22
Exact mass
371.0157
XLogP
4.08
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
91.7
Supplementary Information
Details werden geladen…
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