CC(C)(C)c1cc(F)c2c(=O)n(-c3nccc(Cl)c3C=O)ccc2c1
Name: 2-(6-tert-butyl-8-fluoro-1-oxoisoquinolin-2(1H)-yl)-4-chloronicotinaldehyde
SMILES: CC(C)(C)c1cc(F)c2c(=O)n(-c3nccc(Cl)c3C=O)ccc2c1

Molecular Processing

Molecular formula
C19H16ClFN2O2
Molecular weight
358.8
Exact mass
358.0884
XLogP
4.29
TPSA
51.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
96.4

Supplementary Information

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Involved in 6 reactions→

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