SMILES:
CC(COc1cccc(Cl)[n+]1[O-])CC(C)(C)CMolecular Processing
Molecular formula
C13H20ClNO2
Molecular weight
257.76
Exact mass
257.1183
XLogP
3.42
TPSA
36.17
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
69.14
Supplementary Information
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