SMILES:
O=C1CCc2c(C3OCCO3)cccc2N1Cc1ccc(CCl)cc1Molecular Processing
Molecular formula
C20H20ClNO3
Molecular weight
357.84
Exact mass
357.1132
XLogP
3.95
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
96.6
Supplementary Information
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