SMILES:
Brc1ccc2c(c1)c1cc(Br)ccc1n2CCC1CO1Molecular Processing
Molecular formula
C16H13Br2NO
Molecular weight
395.09
Exact mass
392.9364
XLogP
5.11
TPSA
17.46
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
20
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
89.2
Supplementary Information
Details werden geladen…
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