SMILES:
CCCCCN1C(=O)C2(COc3cc4c(cc32)OCO4)c2c(Br)cccc21Molecular Processing
Molecular formula
C21H20BrNO4
Molecular weight
430.3
Exact mass
429.0576
XLogP
4.39
TPSA
48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
5
Aromatic rings
2
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
104.86
Supplementary Information
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