CCOC(=O)C1(F)C2CC(O)C(N=[N+]=[N-])(C(=O)OCC)C21
SMILES: CCOC(=O)C1(F)C2CC(O)C(N=[N+]=[N-])(C(=O)OCC)C21

Molecular Processing

Molecular formula
C12H16FN3O5
Molecular weight
301.27
Exact mass
301.1074
XLogP
0.88
TPSA
121.59
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
66.59

Supplementary Information

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