SMILES:
CCN(CC=CCl)Cc1cccc(Br)c1Molecular Processing
Molecular formula
C12H15BrClN
Molecular weight
288.62
Exact mass
287.0076
XLogP
4.02
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
70.09
Supplementary Information
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