Nombre: Compound 37
SMILES:
Clc1ncc(Br)c(N(c2ccccc2)C2CCCCC2)n1Molecular Processing
Molecular formula
C16H17BrClN3
Molecular weight
366.69
Exact mass
365.0294
XLogP
5.36
TPSA
29.02
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
90.2
Supplementary Information
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