SMILES:
CCC(CC)COc1ccc(Br)cc1Cn1ncc(CC(=O)O)c1CMolecular Processing
Molecular formula
C19H25BrN2O3
Molecular weight
409.32
Exact mass
408.1049
XLogP
4.44
TPSA
64.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
101.11
Supplementary Information
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