SMILES:
O=C1Cc2cc([N+](=O)[O-])ccc2N1Molecular Processing
Molecular formula
C8H6N2O3
Molecular weight
178.15
Exact mass
178.0378
XLogP
1.09
TPSA
72.24
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.43
Supplementary Information
Details werden geladen…
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