SMILES:
CC(=O)OCC1OC(n2c(C(F)(F)F)nc3c(=O)[nH]c(N)nc32)C(OC(C)=O)C1OC(C)=OMolecular Processing
Molecular formula
C17H18F3N5O8
Molecular weight
477.35
Exact mass
477.1107
XLogP
0.04
TPSA
177.72
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
99.21
Supplementary Information
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