SMILES:
COC(OC)C(O)(Cc1ccc(Cl)cc1Cl)c1cccnc1Molecular Processing
Molecular formula
C16H17Cl2NO3
Molecular weight
342.22
Exact mass
341.0585
XLogP
3.44
TPSA
51.58
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
86.11
Supplementary Information
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