Name: 5-(4-Bromo-but-2-enyloxy)-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCc2cc(OCC=CCBr)ccc21Molecular Processing
Molecular formula
C17H22BrNO3
Molecular weight
368.27
Exact mass
367.0783
XLogP
4.31
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
92.16
Supplementary Information
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