Name: 4-fluoro-5-methoxy-2-(4-pyridinylamino)isoindole-1,3-dione hydrochloride
SMILES:
COc1ccc2c(c1F)C(=O)N(Nc1ccncc1)C2=O.ClMolecular Processing
Molecular formula
C14H11ClFN3O3
Molecular weight
323.71
Exact mass
323.0473
XLogP
2.27
TPSA
71.53
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.071
Molar refractivity
78.56
Supplementary Information
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