SMILES:
CC(C)N1CCC(Oc2cc3cc(C(=O)O)[nH]c3cc2Br)CC1Molecular Processing
Molecular formula
C17H21BrN2O3
Molecular weight
381.27
Exact mass
380.0736
XLogP
3.88
TPSA
65.56
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
93.32
Supplementary Information
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