CCOP(=O)(OCC)c1ccc(-c2nc3c([N+](=O)[O-])c(F)cc(C4CC4)c3n2CC(C)C)o1
SMILES: CCOP(=O)(OCC)c1ccc(-c2nc3c([N+](=O)[O-])c(F)cc(C4CC4)c3n2CC(C)C)o1

Molecular Processing

Molecular formula
C22H27FN3O6P
Molecular weight
479.45
Exact mass
479.1622
XLogP
5.77
TPSA
109.63
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
121.35

Supplementary Information

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