SMILES:
CC(C)(C)c1cc(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)[nH]1Molecular Processing
Molecular formula
C16H15N3O3
Molecular weight
297.31
Exact mass
297.1113
XLogP
3.12
TPSA
99.79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
82.57
Supplementary Information
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