SMILES:
Cc1nn(Cc2ccc([N+](=O)[O-])cc2F)c(C)c1CC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C18H22FN3O4
Molecular weight
363.39
Exact mass
363.1594
XLogP
3.48
TPSA
87.26
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
93.41
Supplementary Information
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