Name: 6-(4-Bromo-butoxy)-3,4-dihydro-2H-quinoline-1-carboxylic acid 4-chloro-phenyl ester
SMILES:
O=C(Oc1ccc(Cl)cc1)N1CCCc2cc(OCCCCBr)ccc21Molecular Processing
Molecular formula
C20H21BrClNO3
Molecular weight
438.75
Exact mass
437.0393
XLogP
5.85
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
108.11
Supplementary Information
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