SMILES:
COC1c2ccccc2C2CNCC21.ClMolecular Processing
Molecular formula
C12H16ClNO
Molecular weight
225.72
Exact mass
225.092
XLogP
2.11
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
62.54
Supplementary Information
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