SMILES:
O=[N+]([O-])c1c(NC2CCCCC2)ccc2cc(Br)ccc12Molecular Processing
Molecular formula
C16H17BrN2O2
Molecular weight
349.23
Exact mass
348.0473
XLogP
5.26
TPSA
55.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
88.8
Supplementary Information
Details werden geladen…
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