SMILES:
CCC1CCC1Nc1c(C#N)cc([N+](=O)[O-])c2nc(C(F)(F)F)[nH]c12Molecular Processing
Molecular formula
C15H14F3N5O2
Molecular weight
353.3
Exact mass
353.11
XLogP
3.96
TPSA
107.64
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
82.89
Supplementary Information
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