SMILES:
O=C1N(Cc2c(Cl)cc(Br)cc2Cl)CCC12CCCCC2Molecular Processing
Molecular formula
C16H18BrCl2NO
Molecular weight
391.14
Exact mass
388.9949
XLogP
5.44
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
89.71
Supplementary Information
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