Cl.O=C(c1ccccc1)C(Cl)CCN1CCC(O)(Cc2ccccc2)CC1
SMILES: Cl.O=C(c1ccccc1)C(Cl)CCN1CCC(O)(Cc2ccccc2)CC1

Molecular Processing

Molecular formula
C22H27Cl2NO2
Molecular weight
408.37
Exact mass
407.1419
XLogP
4.36
TPSA
40.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.409
Molar refractivity
113.05

Supplementary Information

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