SMILES:
NC(=NO)c1ncn2c1C1CCN1C(=O)c1c-2cccc1C(F)(F)FMolecular Processing
Molecular formula
C15H12F3N5O2
Molecular weight
351.29
Exact mass
351.0943
XLogP
1.89
TPSA
96.74
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
79.47
Supplementary Information
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