SMILES:
Cc1cc(Br)c2c(c1)N(C(=O)OCc1ccccc1)CCO2Molecular Processing
Molecular formula
C17H16BrNO3
Molecular weight
362.22
Exact mass
361.0314
XLogP
4.29
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
88.35
Supplementary Information
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