SMILES:
N#Cc1ccc(C(O)Cc2ccc(C#N)cc2[N+](=O)[O-])cc1Molecular Processing
Molecular formula
C16H11N3O3
Molecular weight
293.28
Exact mass
293.08
XLogP
2.61
TPSA
110.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
77.63
Supplementary Information
Details werden geladen…
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