SMILES:
CCCCCN1C(=O)C(c2cc3c(cc2O)OCO3)c2c(Br)cccc21Molecular Processing
Molecular formula
C20H20BrNO4
Molecular weight
418.29
Exact mass
417.0576
XLogP
4.55
TPSA
59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
102.09
Supplementary Information
Details werden geladen…
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