Name: 5-(4-Bromo-butoxy)-2,3-dihydro-indole-1-carboxylic acid 4-chloro-phenyl ester
SMILES:
O=C(Oc1ccc(Cl)cc1)N1CCc2cc(OCCCCBr)ccc21Molecular Processing
Molecular formula
C19H19BrClNO3
Molecular weight
424.72
Exact mass
423.0237
XLogP
5.46
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
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
0.316
Molar refractivity
103.49
Supplementary Information
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