이름: 4-phenoxy-3-hydroxy-2-(1-methyl-1-phenylethyl)isoindolinone
SMILES:
CC(C)(c1ccccc1)N1C(=O)c2cccc(Oc3ccccc3)c2C1OMolecular Processing
Molecular formula
C23H21NO3
Molecular weight
359.43
Exact mass
359.1521
XLogP
4.86
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
103.56
Supplementary Information
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