名称: 5-bromo-7-chloro-2-(4-trifluoromethyl-benzyl)-2,3-dihydro-isoindol-1-one
SMILES:
O=C1c2c(Cl)cc(Br)cc2CN1Cc1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C16H10BrClF3NO
Molecular weight
404.61
Exact mass
402.9586
XLogP
5.28
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
84.17
Supplementary Information
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