SMILES:
CCc1cccc2c3c([nH]c12)C(CC)(CCCl)OCC3Molecular Processing
Molecular formula
C17H22ClNO
Molecular weight
291.82
Exact mass
291.139
XLogP
4.54
TPSA
25.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
84.64
Supplementary Information
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