SMILES:
C=C(Br)CC(O)Cc1ccccc1Molecular Processing
Molecular formula
C11H13BrO
Molecular weight
241.13
Exact mass
240.015
XLogP
2.89
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
58.84
Supplementary Information
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