SMILES:
CCN1CCCC1CNC(=O)c1c(N)c(Br)cc(OC)c1OCMolecular Processing
Molecular formula
C16H24BrN3O3
Molecular weight
386.29
Exact mass
385.1001
XLogP
2.26
TPSA
76.82
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
94.26
Supplementary Information
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