SMILES:
CC(C)(O)CCN1CCC(c2nsc3cc(F)ccc23)CC1.CC(C)(O)CCN1CCC(c2nsc3cc(F)ccc23)CC1.O=C(O)/C=C/C(=O)OMolecular Processing
Molecular formula
C38H50F2N4O6S2
Molecular weight
760.97
Exact mass
760.314
XLogP
7.26
TPSA
147.32
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
52
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
3
Fraction Csp3
0.526
Molar refractivity
202.23
Supplementary Information
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