SMILES:
O=C1CCc2cc(C(=O)CCCCCBr)ccc2N1Molecular Processing
Molecular formula
C15H18BrNO2
Molecular weight
324.22
Exact mass
323.0521
XLogP
3.71
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
79.99
Supplementary Information
Details werden geladen…
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