SMILES:
O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.OC(CN1CCC(c2noc3cc(F)ccc23)CC1)CN1CCc2ccccc2C1Molecular Processing
Molecular formula
C32H36FN3O10
Molecular weight
641.65
Exact mass
641.2385
XLogP
2.99
TPSA
201.94
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
46
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
3
Fraction Csp3
0.344
Molar refractivity
162.63
Supplementary Information
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