SMILES:
O=C1Nc2ccc(Br)cc2C1=Cc1ccc2c(c1)CCO2Molecular Processing
Molecular formula
C17H12BrNO2
Molecular weight
342.19
Exact mass
341.0051
XLogP
3.88
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
86.28
Supplementary Information
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