Name: 7-fluoro-3-phenyl-4-[2-(tetrahydro-2H-pyran-2-yloxy)ethoxy]isoquinolin-1(2H)-one
SMILES:
O=c1[nH]c(-c2ccccc2)c(OCCOC2CCCCO2)c2ccc(F)cc12Molecular Processing
Molecular formula
C22H22FNO4
Molecular weight
383.42
Exact mass
383.1533
XLogP
4.26
TPSA
60.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
105
Supplementary Information
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