SMILES:
Cc1cc(C)c(N2CCCc3c2nn(C)c3Br)c(Cl)c1Molecular Processing
Molecular formula
C15H17BrClN3
Molecular weight
354.68
Exact mass
353.0294
XLogP
4.54
TPSA
21.06
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
87.16
Supplementary Information
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