SMILES:
O=C(Nc1ccc(CO)c(Br)c1)C1(c2ccc3c(c2)OCO3)CC1Molecular Processing
Molecular formula
C18H16BrNO4
Molecular weight
390.23
Exact mass
389.0263
XLogP
3.34
TPSA
67.79
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
92.17
Supplementary Information
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