O=C(NOCCO)c1cc(CN2OCCOC2=O)c(F)c(F)c1Nc1ccc(I)cc1F
SMILES: O=C(NOCCO)c1cc(CN2OCCOC2=O)c(F)c(F)c1Nc1ccc(I)cc1F

Molecular Processing

Molecular formula
C19H17F3IN3O6
Molecular weight
567.26
Exact mass
567.0114
XLogP
2.99
TPSA
109.36
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
112.1

Supplementary Information

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