الاسم: 4-chloro-5-methyl-3-hydroxy-7-iodo-2-(1-methyl-1-phenylethyl)isoindolinone
SMILES:
Cc1cc(I)c2c(c1Cl)C(O)N(C(C)(C)c1ccccc1)C2=OMolecular Processing
Molecular formula
C18H17ClINO2
Molecular weight
441.7
Exact mass
440.9993
XLogP
4.64
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
99.5
Supplementary Information
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