Cc1oc(-c2ccc(F)cc2)nc1CO[C@@H]1CCC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1
SMILES: Cc1oc(-c2ccc(F)cc2)nc1CO[C@@H]1CCC[C@H](OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1

Molecular Processing

Molecular formula
C24H22FN3O8
Molecular weight
499.45
Exact mass
499.1391
XLogP
5.29
TPSA
147.84
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
122.63

Supplementary Information

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