SMILES:
CC(C)(C)OC(=O)N(Cc1ccc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)cc1)CC1CCCO1Molecular Processing
Molecular formula
C30H30FN3O6S
Molecular weight
579.65
Exact mass
579.1839
XLogP
7.72
TPSA
104.03
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
153.8
Supplementary Information
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