Name: 7-Benzyl-1-cyano-4-hydroxy-isoquinoline-3-carboxylic acid methyl ester
SMILES:
COC(=O)c1nc(C#N)c2cc(Cc3ccccc3)ccc2c1OMolecular Processing
Molecular formula
C19H14N2O3
Molecular weight
318.33
Exact mass
318.1004
XLogP
3.19
TPSA
83.21
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
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
0.105
Molar refractivity
88.71
Supplementary Information
Details werden geladen…
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