SMILES:
CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC2(C1)OCCO2Molecular Processing
Molecular formula
C17H22BrNO4
Molecular weight
384.27
Exact mass
383.0732
XLogP
3.71
TPSA
56.79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
89.06
Supplementary Information
Details werden geladen…
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