SMILES:
COC(=O)C(CCBr)Oc1ccc(OCc2ccccc2)nc1Molecular Processing
Molecular formula
C17H18BrNO4
Molecular weight
380.24
Exact mass
379.0419
XLogP
3.37
TPSA
57.65
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
89.85
Supplementary Information
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