SMILES:
CC1(c2ccc(N)cc2Br)COC1Molecular Processing
Molecular formula
C10H12BrNO
Molecular weight
242.12
Exact mass
241.0102
XLogP
2.32
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
56.73
Supplementary Information
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