SMILES:
CC(=O)Nc1cccc(-c2n[nH]c3ncc4c(c23)CC[NH2+]C4)c1.O=C([O-])C(F)(F)FMolecular Processing
Molecular formula
C19H18F3N5O3
Molecular weight
421.38
Exact mass
421.1362
XLogP
0.5
TPSA
127.41
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.263
Molar refractivity
98.89
Supplementary Information
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