SMILES:
CC(=O)OCCCCN1CCC(c2noc3cc(F)ccc23)CC1.O=C(O)/C=C/C(=O)OMolecular Processing
Molecular formula
C22H27FN2O7
Molecular weight
450.46
Exact mass
450.1802
XLogP
3.2
TPSA
130.17
H-bond donors
2
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
10
Covalent units
2
Fraction Csp3
0.455
Molar refractivity
112.66
Supplementary Information
Details werden geladen…
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