SMILES:
Cl.NC1CCC(Nc2cccc3cncc(Br)c23)CC1Molecular Processing
Molecular formula
C15H19BrClN3
Molecular weight
356.7
Exact mass
355.0451
XLogP
4.1
TPSA
50.94
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
90.55
Supplementary Information
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