SMILES:
Brc1ccc2c(c1)CCC(NCc1ccccc1)C2Molecular Processing
Molecular formula
C17H18BrN
Molecular weight
316.24
Exact mass
315.0623
XLogP
4.1
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
83.24
Supplementary Information
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