Name: ( 25 )
SMILES:
COc1ccc([N+](=O)[O-])c2c1CCN2C(C)=OMolecular Processing
Molecular formula
C11H12N2O4
Molecular weight
236.23
Exact mass
236.0797
XLogP
1.51
TPSA
72.68
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
61.38
Supplementary Information
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