Name: 1-bromo-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-7-ium 2,2,2-trifluoroacetate
SMILES:
Brc1n[nH]c2ncc3c(c12)CC[NH2+]C3.O=C([O-])C(F)(F)FMolecular Processing
Molecular formula
C11H10BrF3N4O2
Molecular weight
367.12
Exact mass
365.9939
XLogP
-0.36
TPSA
98.31
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
66.85
Supplementary Information
Details werden geladen…
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