COc1ccc(C=C2C(=O)Nc3ccccc32)cc1Br
SMILES: COc1ccc(C=C2C(=O)Nc3ccccc32)cc1Br

Molecular Processing

Molecular formula
C16H12BrNO2
Molecular weight
330.18
Exact mass
329.0051
XLogP
3.95
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
83.64

Supplementary Information

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