Name: Intermediate 13
SMILES:
CC(C)OC(=O)N1CCC(c2nc3cc(Br)ccc3o2)CC1Molecular Processing
Molecular formula
C16H19BrN2O3
Molecular weight
367.24
Exact mass
366.0579
XLogP
4.31
TPSA
55.57
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
86.87
Supplementary Information
Details werden geladen…
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