SMILES:
CC1=C(C(=O)OCCN(C)C)C(c2ccccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1Molecular Processing
Molecular formula
C19H22F3N3O4
Molecular weight
413.4
Exact mass
413.1562
XLogP
3.28
TPSA
84.71
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
99.23
Supplementary Information
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