SMILES:
O=C1NC(=O)C2(CCOc3c([N+](=O)[O-])cc(F)cc32)S1Molecular Processing
Molecular formula
C11H7FN2O5S
Molecular weight
298.25
Exact mass
298.006
XLogP
1.69
TPSA
98.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
65.97
Supplementary Information
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