SMILES:
O=C(NC1CCCCC1)c1cnn(-c2ccc(Br)cc2)c1C1CC1Molecular Processing
Molecular formula
C19H22BrN3O
Molecular weight
388.31
Exact mass
387.0946
XLogP
4.57
TPSA
46.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
97.58
Supplementary Information
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