이름: methyl 3-(4,7-difluoro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-(2-methyl-[1,3]dioxolan-2-yl)propionate
SMILES:
COC(=O)C(CN1C(=O)c2c(F)ccc(F)c2C1=O)C1(C)OCCO1Molecular Processing
Molecular formula
C16H15F2NO6
Molecular weight
355.29
Exact mass
355.0867
XLogP
1.11
TPSA
82.14
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
77.54
Supplementary Information
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