SMILES:
COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCCCClMolecular Processing
Molecular formula
C11H12ClNO6
Molecular weight
289.67
Exact mass
289.0353
XLogP
2.31
TPSA
98.9
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
67.44
Supplementary Information
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